Details of the Drug

General Information of Drug (ID: DMUQ1DO)

Drug Name

ITI-007

Indication

Disease Entry	ICD 11	Status	REF
Depression	6A70-6A7Z	Phase 3	[1]
Insomnia	7A00-7A0Z	Phase 3	[2]
Schizophrenia	6A20	Phase 3	[2]
Major depressive disorder	6A70.3	Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

393.5

Logarithm of the Partition Coefficient (xlogp)

3.8

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Absorption Tmax: The time to maximum plasma concentration (Tmax) is 3-4 h [3]
Clearance: The clearance of drug is 27.9 L/h [4]
Elimination: Approximately 58% of a lumateperone dose can be recovered in the urine, while 29% can be recovered in the feces [3]
Half-life: The concentration or amount of drug in body reduced by one-half in 13 - 18 hours [3]
Metabolism: The drug is metabolized via the ketone reductase to produce the primary active metabolite [3]
Vd: The volume of distribution (Vd) of drug is 4.1 L/kg [4]

Chemical Identifiers

Formula: C24H28FN3O
IUPAC Name: 1-(4-fluorophenyl)-4-[(10R,15S)-4-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one
Canonical SMILES: CN1CCN2[C@H]3CCN(C[C@H]3C4=C2C1=CC=C4)CCCC(=O)C5=CC=C(C=C5)F
InChI: InChI=1S/C24H28FN3O/c1-26-14-15-28-21-11-13-27(16-20(21)19-4-2-5-22(26)24(19)28)12-3-6-23(29)17-7-9-18(25)10-8-17/h2,4-5,7-10,20-21H,3,6,11-16H2,1H3/t20-,21-/m0/s1
InChIKey: HOIIHACBCFLJET-SFTDATJTSA-N

Cross-matching ID

PubChem CID: 21302490
CAS Number: 313369-37-8
TTD ID: D0Q0EF
ACDINA ID: D01228

Repurposed Drugs (RPD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 2A receptor (HTR2A)	TTJQOD7	5HT2A_HUMAN	Antagonist	[5]
5-HT receptor (5HTR)	TT85JO3	NOUNIPROTAC	Antagonist	[1]
Serotonin transporter (SERT)	TT3ROYC	SC6A4_HUMAN	Antagonist	[5]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

ICD Disease Classification

06 Mental, behavioural or neurodevelopmental disorder

Disease Class

ICD-11: 6A20 Schizophrenia

The Studied Tissue

Pre-frontal cortex

The Studied Disease

Schizophrenia [ICD-11:6A20]

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
5-HT 2A receptor (HTR2A)	DTT	HTR2A	1.68E-01	-0.3	-0.14
5-HT 2A receptor (HTR2A)	DTT	HTR2A	5.59E-01	0.15	0.21
Serotonin transporter (SERT)	DTT	SLC6A4	7.90E-01	0.04	0.14
Serotonin transporter (SERT)	DTT	SLC6A4	4.98E-01	0.04	0.7

Molecular Expression Atlas (MEA)

MEA Detail

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Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Same Disease as ITI-007

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Disease	REF
Suvorexant	DM0E6S3	Moderate	Decreased metabolism of ITI-007 caused by Suvorexant mediated inhibition of CYP450 enzyme.	Insomnia [7A00-7A0Z]	[6]
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Coadministration of a Drug Treating the Disease Different from ITI-007 (Comorbidity)

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
Metreleptin	DM1NOEK	Major	Increased metabolism of ITI-007 caused by Metreleptin mediated induction of CYP450 enzyme.	Acute diabete complication [5A2Y]	[6]
Ivosidenib	DM8S6T7	Major	Increased metabolism of ITI-007 caused by Ivosidenib mediated induction of CYP450 enzyme.	Acute myeloid leukaemia [2A60]	[6]
Arn-509	DMT81LZ	Major	Increased metabolism of ITI-007 caused by Arn-509 mediated induction of CYP450 enzyme.	Acute myeloid leukaemia [2A60]	[6]
Oliceridine	DM6MDCF	Major	Additive CNS depression effects by the combination of ITI-007 and Oliceridine.	Acute pain [MG31]	[7]
Mepyramine	DMB4SFH	Moderate	Additive anticholinergic effects by the combination of ITI-007 and Mepyramine.	Allergic/hypersensitivity disorder [4A80-4A8Z]	[8]
Phenyltoloxamine	DMKAEQW	Moderate	Additive anticholinergic effects by the combination of ITI-007 and Phenyltoloxamine.	Allergic/hypersensitivity disorder [4A80-4A8Z]	[8]
Pexidartinib	DMS2J0Z	Major	Increased metabolism of ITI-007 caused by Pexidartinib mediated induction of CYP450 enzyme.	Bone/articular cartilage neoplasm [2F7B]	[6]
Tucatinib	DMBESUA	Major	Decreased metabolism of ITI-007 caused by Tucatinib mediated inhibition of CYP450 enzyme.	Breast cancer [2C60-2C6Y]	[6]
Palbociclib	DMD7L94	Moderate	Decreased metabolism of ITI-007 caused by Palbociclib mediated inhibition of CYP450 enzyme.	Breast cancer [2C60-2C6Y]	[6]
Regorafenib	DMHSY1I	Moderate	Decreased metabolism of ITI-007 caused by Regorafenib mediated inhibition of UGT.	Colorectal cancer [2B91]	[6]
Lumacaftor	DMCLWDJ	Major	Increased metabolism of ITI-007 caused by Lumacaftor mediated induction of CYP450 enzyme.	Cystic fibrosis [CA25]	[6]
Ivacaftor	DMZC1HS	Moderate	Decreased metabolism of ITI-007 caused by Ivacaftor mediated inhibition of CYP450 enzyme.	Cystic fibrosis [CA25]	[6]
MK-8228	DMOB58Q	Major	Decreased metabolism of ITI-007 caused by MK-8228 mediated inhibition of CYP450 enzyme.	Cytomegaloviral disease [1D82]	[6]
OPC-34712	DMHG57U	Moderate	Additive anticholinergic effects by the combination of ITI-007 and OPC-34712.	Depression [6A70-6A7Z]	[9]
Esketamine	DMVU687	Moderate	Additive CNS depression effects by the combination of ITI-007 and Esketamine.	Depression [6A70-6A7Z]	[10]
Deutetrabenazine	DMUPFLI	Major	Additive antidopaminergic effects by the combination of ITI-007 and Deutetrabenazine.	Dystonic disorder [8A02]	[11]
Cenobamate	DM8KLU9	Major	Increased metabolism of ITI-007 caused by Cenobamate mediated induction of CYP450 enzyme.	Epilepsy/seizure [8A61-8A6Z]	[6]
Stiripentol	DMMSDOY	Major	Decreased metabolism of ITI-007 caused by Stiripentol mediated inhibition of CYP450 enzyme.	Epilepsy/seizure [8A61-8A6Z]	[6]
Rufinamide	DMWE60C	Major	Increased metabolism of ITI-007 caused by Rufinamide mediated induction of CYP450 enzyme.	Epilepsy/seizure [8A61-8A6Z]	[6]
Eslicarbazepine	DMZREFQ	Major	Increased metabolism of ITI-007 caused by Eslicarbazepine mediated induction of CYP450 enzyme.	Epilepsy/seizure [8A61-8A6Z]	[6]
Tazemetostat	DMWP1BH	Major	Increased metabolism of ITI-007 caused by Tazemetostat mediated induction of CYP450 enzyme.	Follicular lymphoma [2A80]	[6]
Boceprevir	DMBSHMF	Major	Decreased metabolism of ITI-007 caused by Boceprevir mediated inhibition of CYP450 enzyme.	Hepatitis virus infection [1E50-1E51]	[6]
MK-1439	DM215WE	Major	Increased metabolism of ITI-007 caused by MK-1439 mediated induction of CYP450 enzyme.	Human immunodeficiency virus disease [1C60-1C62]	[6]
Cobicistat	DM6L4H2	Major	Decreased metabolism of ITI-007 caused by Cobicistat mediated inhibition of CYP450 enzyme.	Human immunodeficiency virus disease [1C60-1C62]	[6]
Etravirine	DMGV8QU	Major	Increased metabolism of ITI-007 caused by Etravirine mediated induction of CYP450 enzyme.	Human immunodeficiency virus disease [1C60-1C62]	[6]
BMS-201038	DMQTAGO	Moderate	Decreased metabolism of ITI-007 caused by BMS-201038 mediated inhibition of CYP450 enzyme.	Hyper-lipoproteinaemia [5C80]	[6]
Levamlodipine	DM92S6N	Moderate	Decreased metabolism of ITI-007 caused by Levamlodipine mediated inhibition of CYP450 enzyme.	Hypertension [BA00-BA04]	[6]
TAK-491	DMCF6SX	Moderate	Additive hypotensive effects by the combination of ITI-007 and TAK-491.	Hypertension [BA00-BA04]	[12]
Lesinurad	DMUR64T	Major	Increased metabolism of ITI-007 caused by Lesinurad mediated induction of CYP450 enzyme.	Inborn purine/pyrimidine/nucleotide metabolism error [5C55]	[6]
Belladonna	DM2RBWK	Moderate	Additive anticholinergic effects by the combination of ITI-007 and Belladonna.	Infectious gastroenteritis/colitis [1A40]	[9]
Berotralstat	DMWA2DZ	Major	Decreased metabolism of ITI-007 caused by Berotralstat mediated inhibition of CYP450 enzyme.	Innate/adaptive immunodeficiency [4A00]	[6]
Polyethylene glycol	DM4I1JP	Moderate	Increased risk of lowers seizure threshold by the combination of ITI-007 and Polyethylene glycol.	Irritable bowel syndrome [DD91]	[13]
Glycerol phenylbutyrate	DMDGRQO	Major	Increased metabolism of ITI-007 caused by Glycerol phenylbutyrate mediated induction of CYP450 enzyme.	Liver disease [DB90-DB9Z]	[6]
Crizotinib	DM4F29C	Major	Decreased metabolism of ITI-007 caused by Crizotinib mediated inhibition of CYP450 enzyme.	Lung cancer [2C25]	[6]
Brigatinib	DM7W94S	Major	Increased metabolism of ITI-007 caused by Brigatinib mediated induction of CYP450 enzyme.	Lung cancer [2C25]	[6]
Ceritinib	DMB920Z	Major	Decreased metabolism of ITI-007 caused by Ceritinib mediated inhibition of CYP450 enzyme.	Lung cancer [2C25]	[6]
PF-06463922	DMKM7EW	Major	Increased metabolism of ITI-007 caused by PF-06463922 mediated induction of CYP450 enzyme.	Lung cancer [2C25]	[6]
Dacomitinib	DMOH8VY	Moderate	Decreased metabolism of ITI-007 caused by Dacomitinib mediated inhibition of UGT.	Lung cancer [2C25]	[6]
Selpercatinib	DMZR15V	Moderate	Decreased metabolism of ITI-007 caused by Selpercatinib mediated inhibition of CYP450 enzyme.	Lung cancer [2C25]	[6]
Idelalisib	DM602WT	Major	Decreased metabolism of ITI-007 caused by Idelalisib mediated inhibition of CYP450 enzyme.	Mature B-cell leukaemia [2A82]	[6]
IPI-145	DMWA24P	Major	Decreased metabolism of ITI-007 caused by IPI-145 mediated inhibition of CYP450 enzyme.	Mature B-cell leukaemia [2A82]	[6]
Vemurafenib	DM62UG5	Major	Increased metabolism of ITI-007 caused by Vemurafenib mediated induction of CYP450 enzyme.	Melanoma [2C30]	[6]
Dabrafenib	DMX6OE3	Major	Increased metabolism of ITI-007 caused by Dabrafenib mediated induction of CYP450 enzyme.	Melanoma [2C30]	[6]
Allopregnanolone	DMNLHAC	Moderate	Additive CNS depression effects by the combination of ITI-007 and Allopregnanolone.	Mental/behavioural/neurodevelopmental disorder [6E20-6E8Z]	[14]
Lasmiditan	DMXLVDT	Moderate	Additive CNS depression effects by the combination of ITI-007 and Lasmiditan.	Migraine [8A80]	[15]
Fedratinib	DM4ZBK6	Major	Decreased metabolism of ITI-007 caused by Fedratinib mediated inhibition of CYP450 enzyme.	Myeloproliferative neoplasm [2A20]	[6]
Netupitant	DMEKAYI	Major	Decreased metabolism of ITI-007 caused by Netupitant mediated inhibition of CYP450 enzyme.	Nausea/vomiting [MD90]	[6]
Rucaparib	DM9PVX8	Moderate	Decreased metabolism of ITI-007 caused by Rucaparib mediated inhibition of UGT.	Ovarian cancer [2C73]	[6]
Opicapone	DM1BKA6	Moderate	Antagonize the effect of ITI-007 when combined with Opicapone.	Parkinsonism [8A00]	[16]
Abametapir	DM2RX0I	Moderate	Decreased metabolism of ITI-007 caused by Abametapir mediated inhibition of CYP450 enzyme.	Pediculosis [1G00]	[17]
Methylscopolamine	DM5VWOB	Moderate	Additive anticholinergic effects by the combination of ITI-007 and Methylscopolamine.	Peptic ulcer [DA61]	[9]
Lefamulin	DME6G97	Moderate	Decreased metabolism of ITI-007 caused by Lefamulin mediated inhibition of CYP450 enzyme.	Pneumonia [CA40]	[6]
Lonafarnib	DMGM2Z6	Major	Decreased metabolism of ITI-007 caused by Lonafarnib mediated inhibition of CYP450 enzyme.	Premature ageing appearance [LD2B]	[6]
Enzalutamide	DMGL19D	Major	Increased metabolism of ITI-007 caused by Enzalutamide mediated induction of CYP450 enzyme.	Prostate cancer [2C82]	[6]
Silodosin	DMJSBT6	Moderate	Additive hypotensive effects by the combination of ITI-007 and Silodosin.	Prostate hyperplasia [GA90]	[12]
Temsirolimus	DMS104F	Moderate	Increased plasma concentrations of ITI-007 and Temsirolimus due to competitive inhibition of the same metabolic pathway.	Renal cell carcinoma [2C90]	[18]
Asenapine	DMSQZE2	Moderate	Additive anticholinergic effects by the combination of ITI-007 and Asenapine.	Schizophrenia [6A20]	[9]
Voxelotor	DMCS6M5	Moderate	Decreased metabolism of ITI-007 caused by Voxelotor mediated inhibition of CYP450 enzyme.	Sickle-cell disorder [3A51]	[6]
Telotristat ethyl	DMDIYFZ	Major	Increased metabolism of ITI-007 caused by Telotristat ethyl mediated induction of CYP450 enzyme.	Small intestine developmental anomaly [DA90]	[6]
Larotrectinib	DM26CQR	Moderate	Decreased metabolism of ITI-007 caused by Larotrectinib mediated inhibition of CYP450 enzyme.	Solid tumour/cancer [2A00-2F9Z]	[6]
Armodafinil	DMGB035	Major	Increased metabolism of ITI-007 caused by Armodafinil mediated induction of CYP450 enzyme.	Solid tumour/cancer [2A00-2F9Z]	[6]
LEE011	DMMX75K	Major	Decreased metabolism of ITI-007 caused by LEE011 mediated inhibition of CYP450 enzyme.	Solid tumour/cancer [2A00-2F9Z]	[6]
Pitolisant	DM8RFNJ	Major	Increased metabolism of ITI-007 caused by Pitolisant mediated induction of CYP450 enzyme.	Somnolence [MG42]	[6]
Fostamatinib	DM6AUHV	Moderate	Decreased metabolism of ITI-007 caused by Fostamatinib mediated inhibition of CYP450 enzyme.	Thrombocytopenia [3B64]	[19]
Eltrombopag	DMOGFIX	Moderate	Decreased metabolism of ITI-007 caused by Eltrombopag mediated inhibition of UGT.	Thrombocytopenia [3B64]	[6]
Lenvatinib	DMB1IU4	Moderate	Decreased metabolism of ITI-007 caused by Lenvatinib mediated inhibition of UGT.	Thyroid cancer [2D10]	[6]
Elagolix	DMB2C0E	Major	Increased metabolism of ITI-007 caused by Elagolix mediated induction of CYP450 enzyme.	Uterine fibroid [2E86]	[6]
Acrivastine	DMTIGA0	Moderate	Additive anticholinergic effects by the combination of ITI-007 and Acrivastine.	Vasomotor/allergic rhinitis [CA08]	[9]
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Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG

DIG Name	DIG ID	PubChem CID	Functional Classification
FD&C blue no. 1	E00263	19700	Colorant
Mannitol	E00103	6251	Diluent; Flavoring agent; Lyophilization aid; Plasticizing agent; Tonicity agent
Carmellose sodium	E00625	Not Available	Disintegrant
FD&C red no. 3	E00629	Not Available	Colorant
Gelatin	E00630	Not Available	Other agent
Magnesium stearate	E00208	11177	lubricant
Talc	E00520	16211421	Anticaking agent; Diluent; Glidant; lubricant
Titanium dioxide	E00322	26042	Coating agent; Colorant; Opacifying agent
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Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Lumateperone 42mg capsule	42mg	Capsule	Oral

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References

1	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2	ClinicalTrials.gov (NCT02469155) A Trial to Assess the Antipsychotic Efficacy of ITI-007 Over 6 Weeks of Treatment.
3	An evaluation of lumateperone tosylate for the treatment of schizophrenia. Expert Opin Pharmacother. 2019 Nov 30:1-7. doi: 10.1080/14656566.2019.1695778.
4	CAPLYTA?
5	Clinical pipeline report, company report or official report of Intra-Cellular Therapies, Inc.
6	Product Information. Caplyta (lumateperone). Intra-Cellular Therapies, Inc., New York, NY.
7	US Food and Drug Administration "FDA warns about serious risks and death when combining opioid pain or cough medicines with benzodiazepines requires its strongest warning.".
8	Kulik AV, Wilbur R "Delirium and stereotypy from anticholinergic antiparkinson drugs." Prog Neuropsychopharmacol Biol Psychiatry 6 (1982): 75-82. [PMID: 7202232]
9	Cohen MA, Alfonso CA, Mosquera M. Development of urinary retention during treatment with clozapine and meclizine [published correction appears in Am J Psychiatry 1994 Jun;151(6):952]. Am J Psychiatry. 1994;151(4):619-620. [PMID: 8147469]
10	Cerner Multum, Inc. "Australian Product Information.".
11	Product Information. Austedo (deutetrabenazine). Teva Pharmaceuticals USA, North Wales, PA.
12	Aronowitz JS, Chakos MH, Safferman AZ, Lieberman JA "Syncope associated with the combination of clozapine and enalapril." J Clin Psychopharmacol 14 (1994): 429-30. [PMID: 7884028]
13	Product Information. Suprep Bowel Prep Kit (magnesium/potassium/sodium sulfates). Braintree Laboratories, Braintree, MA.
14	Product Information. Zulresso (brexanolone). Sage Therapeutics, Inc., Cambridge, MA.
15	Product Information. Reyvow (lasmiditan). Lilly, Eli and Company, Indianapolis, IN.
16	Mims RB, Scott CL, Modebe O, Bethune JE "Inhibition of L-dopa-induced growth hormone stimulation by pyridoxine and chlorpromazine." J Clin Endocrinol Metab 40 (1975): 256-9. [PMID: 1117978]
17	Product Information. Xeglyze (abametapir topical). Dr. Reddy's Laboratories Inc, Upper Saddle River, NJ.
18	Product Information. Prograf (tacrolimus). Fujisawa, Deerfield, IL.
19	Product Information. Tavalisse (fostamatinib). Rigel Pharmaceuticals, South San Francisco, CA.