Details of the Drug

General Information of Drug (ID: DM8S6T7)

Drug Name

Ivosidenib

Synonyms

UNII-Q2PCN8MAM6; Q2PCN8MAM6; Ivosidenib [INN]; Ivosidenib [USAN]; Ivosidenib [WHO-DD]; GTPL9217; SCHEMBL15122512; EX-A992; MolPort-044-560-317; RG120; s8206; 1448347-49-6 (Ivosidenib); AKOS028113340; ZINC205136523; CS-5122; AS-35058; HY-18767

Indication

Disease Entry	ICD 11	Status	REF
Acute myeloid leukaemia	2A60	Approved	[1]
Cholangiocarcinoma	2C12.10	Phase 3	[2]
Haematological malignancy	2B33.Y	Phase 1	[3]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

583

Logarithm of the Partition Coefficient (xlogp)

3.4

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

9

Chemical Identifiers

Formula: C28H22ClF3N6O3
IUPAC Name: (2S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamide
Canonical SMILES: C1CC(=O)N([C@@H]1C(=O)N(C2=CC(=CN=C2)F)[C@@H](C3=CC=CC=C3Cl)C(=O)NC4CC(C4)(F)F)C5=NC=CC(=C5)C#N
InChI: InChI=1S/C28H22ClF3N6O3/c29-21-4-2-1-3-20(21)25(26(40)36-18-11-28(31,32)12-18)37(19-10-17(30)14-34-15-19)27(41)22-5-6-24(39)38(22)23-9-16(13-33)7-8-35-23/h1-4,7-10,14-15,18,22,25H,5-6,11-12H2,(H,36,40)/t22-,25-/m0/s1
InChIKey: WIJZXSAJMHAVGX-DHLKQENFSA-N

Cross-matching ID

PubChem CID: 71657455
ChEBI ID: CHEBI:145430
CAS Number: 1448347-49-6
DrugBank ID: DB14568
TTD ID: D07DCG
ACDINA ID: D01187

Combinatorial Drugs (CBD)

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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
Oxalosuccinate decarboxylase (IDH1)	TTV2A1R	IDHC_HUMAN	Inhibitor	[1]

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Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
P-glycoprotein 1 (ABCB1)	DTUGYRD	MDR1_HUMAN	Substrate	[4]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from Ivosidenib (Comorbidity)

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
Oliceridine	DM6MDCF	Major	Increased risk of prolong QT interval by the combination of Ivosidenib and Oliceridine.	Acute pain [MG31]	[5]
Ripretinib	DM958QB	Moderate	Increased metabolism of Ivosidenib caused by Ripretinib mediated induction of CYP450 enzyme.	Gastrointestinal stromal tumour [2B5B]	[6]
Avapritinib	DMK2GZX	Moderate	Increased metabolism of Ivosidenib caused by Avapritinib mediated induction of CYP450 enzyme.	Gastrointestinal stromal tumour [2B5B]	[7]
Pemigatinib	DM819JF	Moderate	Increased metabolism of Ivosidenib caused by Pemigatinib mediated induction of CYP450 enzyme.	Liver cancer [2C12]	[7]
Selpercatinib	DMZR15V	Major	Increased risk of prolong QT interval by the combination of Ivosidenib and Selpercatinib.	Lung cancer [2C25]	[5]
Ubrogepant	DM749I3	Moderate	Increased metabolism of Ivosidenib caused by Ubrogepant mediated induction of CYP450 enzyme.	Migraine [8A80]	[8]
Larotrectinib	DM26CQR	Moderate	Increased metabolism of Ivosidenib caused by Larotrectinib mediated induction of CYP450 enzyme.	Solid tumour/cancer [2A00-2F9Z]	[6]
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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. 2	E00446	2723854	Colorant
Sodium lauryl sulfate	E00464	3423265	Emulsifying agent; Modified-release agent; Penetration agent; Solubilizing agent; Surfactant; lubricant
Carmellose sodium	E00625	Not Available	Disintegrant
Hypromellose	E00634	Not Available	Coating agent
Lactose monohydrate	E00393	104938	Binding agent; Diluent; Dry powder inhaler carrier; Lyophilization aid
Magnesium stearate	E00208	11177	lubricant
Titanium dioxide	E00322	26042	Coating agent; Colorant; Opacifying agent
Triacetin	E00080	5541	Humectant; Plasticizing agent; Solvent
Hydrophobic colloidal silica	E00285	24261	Anticaking agent; Emulsion stabilizing agent; Glidant; Suspending agent; Viscosity-controlling agent
Cellulose microcrystalline	E00698	Not Available	Adsorbent; Suspending agent; Diluent
Hypromellose acetate succinate	E00696	Not Available	Coating agent; Solubilizing agent; Modified-release agent;Film/membrane-forming agent
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⏷ Show the Full List of 11 Pharmaceutical Excipients of This Drug

Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Ivosidenib 250 mg tablet	250 mg	Tablet	Oral

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References

1	2018 FDA drug approvals.Nat Rev Drug Discov. 2019 Feb;18(2):85-89.
2	ClinicalTrials.gov (NCT02989857) Study of AG-120 in Previously Treated Advanced Cholangiocarcinoma With IDH1 Mutations (ClarIDHy) (ClarIDHy). U.S. National Institutes of Health.
3	ClinicalTrials.gov (NCT02073994) Study of Orally Administered AG-120 in Subjects With Advanced Solid Tumors, Including Glioma, With an IDH1 Mutation. U.S. National Institutes of Health.
4	DrugBank 5.0: a major update to the DrugBank database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D1074-D1082. (ID: DB14568)
5	Product Information. Fycompa (perampanel). Eisai Inc, Teaneck, NJ.
6	Cerner Multum, Inc. "Australian Product Information.".
7	Cerner Multum, Inc. "UK Summary of Product Characteristics.".
8	Product Information. Ubrelvy (ubrogepant). Allergan Inc, Irvine, CA.