Details of the Drug

General Information of Drug (ID: DMD7L94)

Drug Name

Palbociclib

Synonyms

571190-30-2; PD0332991; PD-0332991; Ibrance; PD 0332991; UNII-G9ZF61LE7G; Palbociclib(PD0332991); 6-Acetyl-8-cyclopentyl-5-methyl-2-[[5-(piperazin-1-yl)pyridin-2-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one; 6-acetyl-8-cyclopentyl-5-methyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one; G9ZF61LE7G; PD 332991; 6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE; LQQ; PD 332991, PD 0332991, PD0332991; 6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-ylpyridin-2-ylamino)-8H-pyrido(2,3-d)pyrimidin-7-one; 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-one; HMR-2934

Indication

Disease Entry	ICD 11	Status	REF
Breast cancer	2C60-2C65	Approved	[1]
Solid tumour/cancer	2A00-2F9Z	Phase 2	[2], [3]
Schizophrenia	6A20	Terminated	[4]

Therapeutic Class

Anticancer Agents

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

447.5

Topological Polar Surface Area (xlogp)

1.8

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Absorption AUC: The area under the plot of plasma concentration (AUC) of drug is 29.4 +/- 14.2 mcgh/L [5]
Absorption Cmax: The maximum plasma concentration (Cmax) of drug is 9.6 mcg/L [5]
Absorption Tmax: The time to maximum plasma concentration (Tmax) is 0.5 h [5]
Bioavailability: The bioavailability of drug is 14-15% [5]
Clearance: The apparent oral clearance of drug is 63.1 L/h [6]
Elimination: The main route of elimination of palbociclib is through feces after hepatic metabolism while renal clearance seems to play a minor role accounting only for 17.5% of the eliminated dose [6]
Half-life: The concentration or amount of drug in body reduced by one-half in 29 hours [6]
Metabolism: The drug is metabolized via the hepatic [6]
Vd: The volume of distribution (Vd) of drug is 2583 L [7]

Chemical Identifiers

Formula: C24H29N7O2
IUPAC Name: 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-one
Canonical SMILES: CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C
InChI: InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)
InChIKey: AHJRHEGDXFFMBM-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 5330286
ChEBI ID: CHEBI:85993
CAS Number: 571190-30-2
DrugBank ID: DB09073
TTD ID: D00UZR
VARIDT ID: DR01288
INTEDE ID: DR1229
ACDINA ID: D00504

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cyclin-dependent kinase 4 (CDK4)	TT0PG8F	CDK4_HUMAN	Modulator	[1]
Cyclin-dependent kinase 6 (CDK6)	TTO0FDJ	CDK6_HUMAN	Modulator	[1]

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Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Breast cancer resistance protein (ABCG2)	DTI7UX6	ABCG2_HUMAN	Substrate	[8]
P-glycoprotein 1 (ABCB1)	DTUGYRD	MDR1_HUMAN	Substrate	[8]

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Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4)_{Main DME}	DE4LYSA	CP3A4_HUMAN	Substrate	[9]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Breast cancer

ICD Disease Classification

2C60-2C65

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Cyclin-dependent kinase 4 (CDK4)	DTT	CDK4	3.30E-72	0.65	2.39
P-glycoprotein 1 (ABCB1)	DTP	P-GP	3.12E-33	-8.30E-01	-1.04E+00
Breast cancer resistance protein (ABCG2)	DTP	BCRP	3.87E-47	-1.28E+00	-1.63E+00
Cytochrome P450 3A4 (CYP3A4)	DME	CYP3A4	5.59E-39	-3.76E-01	-1.64E+00

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Same Disease as Palbociclib

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Disease	REF
Talazoparib	DM1KS78	Moderate	Decreased clearance of Palbociclib due to the transporter inhibition by Talazoparib.	Breast cancer [2C60-2C6Y]	[46]
LY2835219	DM93VBZ	Moderate	Decreased metabolism of Palbociclib caused by LY2835219 mediated inhibition of CYP450 enzyme.	Breast cancer [2C60-2C6Y]	[47]
Tucatinib	DMBESUA	Major	Decreased metabolism of Palbociclib caused by Tucatinib mediated inhibition of CYP450 enzyme.	Breast cancer [2C60-2C6Y]	[48]
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Coadministration of a Drug Treating the Disease Different from Palbociclib (Comorbidity)

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
Ivosidenib	DM8S6T7	Moderate	Increased metabolism of Palbociclib caused by Ivosidenib mediated induction of CYP450 enzyme.	Acute myeloid leukaemia [2A60]	[49]
Arn-509	DMT81LZ	Major	Increased metabolism of Palbociclib caused by Arn-509 mediated induction of CYP450 enzyme.	Acute myeloid leukaemia [2A60]	[49]
Gilteritinib	DMWQ4MZ	Moderate	Decreased metabolism of Palbociclib caused by Gilteritinib mediated inhibition of CYP450 enzyme.	Acute myeloid leukaemia [2A60]	[50]
Oliceridine	DM6MDCF	Moderate	Decreased metabolism of Palbociclib caused by Oliceridine mediated inhibition of CYP450 enzyme.	Acute pain [MG31]	[48]
Ivabradine	DM0L594	Moderate	Decreased metabolism of Palbociclib caused by Ivabradine mediated inhibition of CYP450 enzyme.	Angina pectoris [BA40]	[50]
Troleandomycin	DMUZNIG	Major	Decreased metabolism of Palbociclib caused by Troleandomycin mediated inhibition of CYP450 enzyme.	Bacterial infection [1A00-1C4Z]	[48]
Pexidartinib	DMS2J0Z	Moderate	Increased metabolism of Palbociclib caused by Pexidartinib mediated induction of CYP450 enzyme.	Bone/articular cartilage neoplasm [2F7B]	[49]
PF-04449913	DMSB068	Moderate	Decreased metabolism of Palbociclib caused by PF-04449913 mediated inhibition of CYP450 enzyme.	Chronic myelomonocytic leukaemia [2A40]	[51]
Osilodrostat	DMIJC9X	Moderate	Decreased metabolism of Palbociclib caused by Osilodrostat mediated inhibition of CYP450 enzyme.	Cushing syndrome [5A70]	[50]
MK-8228	DMOB58Q	Moderate	Decreased metabolism of Palbociclib caused by MK-8228 mediated inhibition of CYP450 enzyme.	Cytomegaloviral disease [1D82]	[50]
Polatuzumab vedotin	DMF6Y0L	Moderate	Decreased metabolism of Palbociclib caused by Polatuzumab vedotin mediated inhibition of CYP450 enzyme.	Diffuse large B-cell lymphoma [2A81]	[52]
Eslicarbazepine	DMZREFQ	Moderate	Increased metabolism of Palbociclib caused by Eslicarbazepine mediated induction of CYP450 enzyme.	Epilepsy/seizure [8A61-8A6Z]	[49]
Tazemetostat	DMWP1BH	Moderate	Increased metabolism of Palbociclib caused by Tazemetostat mediated induction of CYP450 enzyme.	Follicular lymphoma [2A80]	[53]
Avapritinib	DMK2GZX	Moderate	Decreased metabolism of Palbociclib caused by Avapritinib mediated inhibition of CYP450 enzyme.	Gastrointestinal stromal tumour [2B5B]	[50]
MK-1439	DM215WE	Minor	Decreased metabolism of Palbociclib caused by MK-1439 mediated inhibition of CYP450 enzyme.	Human immunodeficiency virus disease [1C60-1C62]	[54]
Berotralstat	DMWA2DZ	Major	Decreased clearance of Palbociclib due to the transporter inhibition by Berotralstat.	Innate/adaptive immunodeficiency [4A00]	[55]
Pemigatinib	DM819JF	Moderate	Decreased metabolism of Palbociclib caused by Pemigatinib mediated inhibition of CYP450 enzyme.	Liver cancer [2C12]	[50]
Brigatinib	DM7W94S	Moderate	Decreased metabolism of Palbociclib caused by Brigatinib mediated inhibition of CYP450 enzyme.	Lung cancer [2C25]	[49]
Lurbinectedin	DMEFRTZ	Moderate	Decreased metabolism of Palbociclib caused by Lurbinectedin mediated inhibition of CYP450 enzyme.	Lung cancer [2C25]	[56]
PF-06463922	DMKM7EW	Moderate	Increased metabolism of Palbociclib caused by PF-06463922 mediated induction of CYP450 enzyme.	Lung cancer [2C25]	[49]
Osimertinib	DMRJLAT	Moderate	Decreased metabolism of Palbociclib caused by Osimertinib mediated inhibition of CYP450 enzyme.	Lung cancer [2C25]	[57]
Pralsetinib	DMWU0I2	Moderate	Decreased metabolism of Palbociclib caused by Pralsetinib mediated inhibition of CYP450 enzyme.	Lung cancer [2C25]	[58]
Selpercatinib	DMZR15V	Moderate	Decreased metabolism of Palbociclib caused by Selpercatinib mediated inhibition of CYP450 enzyme.	Lung cancer [2C25]	[50]
GDC-0199	DMH0QKA	Moderate	Decreased metabolism of Palbociclib caused by GDC-0199 mediated inhibition of CYP450 enzyme.	Mature B-cell leukaemia [2A82]	[49]
IPI-145	DMWA24P	Moderate	Decreased metabolism of Palbociclib caused by IPI-145 mediated inhibition of CYP450 enzyme.	Mature B-cell leukaemia [2A82]	[59]
Acalabrutinib	DM7GCVW	Moderate	Decreased metabolism of Palbociclib caused by Acalabrutinib mediated inhibition of CYP450 enzyme.	Mature B-cell lymphoma [2A85]	[60]
Arry-162	DM1P6FR	Moderate	Decreased clearance of Palbociclib due to the transporter inhibition by Arry-162.	Melanoma [2C30]	[49]
Selumetinib	DMC7W6R	Moderate	Decreased metabolism of Palbociclib caused by Selumetinib mediated inhibition of CYP450 enzyme.	Melanoma [2C30]	[61]
Ubrogepant	DM749I3	Moderate	Decreased metabolism of Palbociclib caused by Ubrogepant mediated inhibition of CYP450 enzyme.	Migraine [8A80]	[62]
Rimegepant	DMHOAUG	Moderate	Decreased clearance of Palbociclib due to the transporter inhibition by Rimegepant.	Migraine [8A80]	[63]
Siponimod	DM2R86O	Major	Additive immunosuppressive effects by the combination of Palbociclib and Siponimod.	Multiple sclerosis [8A40]	[49]
Ocrelizumab	DMEZ2KH	Moderate	Additive immunosuppressive effects by the combination of Palbociclib and Ocrelizumab.	Multiple sclerosis [8A40]	[64]
Fedratinib	DM4ZBK6	Moderate	Decreased metabolism of Palbociclib caused by Fedratinib mediated inhibition of CYP450 enzyme.	Myeloproliferative neoplasm [2A20]	[50]
Rucaparib	DM9PVX8	Moderate	Decreased metabolism of Palbociclib caused by Rucaparib mediated inhibition of CYP450 enzyme.	Ovarian cancer [2C73]	[50]
Abametapir	DM2RX0I	Moderate	Decreased metabolism of Palbociclib caused by Abametapir mediated inhibition of CYP450 enzyme.	Pediculosis [1G00]	[65]
Lefamulin	DME6G97	Moderate	Decreased metabolism of Palbociclib caused by Lefamulin mediated inhibition of CYP450 enzyme.	Pneumonia [CA40]	[66]
Anthrax vaccine	DM9GSWY	Moderate	Antagonize the effect of Palbociclib when combined with Anthrax vaccine.	Sepsis [1G40-1G41]	[67]
Voxelotor	DMCS6M5	Moderate	Decreased metabolism of Palbociclib caused by Voxelotor mediated inhibition of CYP450 enzyme.	Sickle-cell disorder [3A51]	[50]
LDE225	DMM9F25	Moderate	Decreased metabolism of Palbociclib caused by LDE225 mediated inhibition of CYP450 enzyme.	Skin cancer [2C30-2C37]	[68]
Telotristat ethyl	DMDIYFZ	Moderate	Increased metabolism of Palbociclib caused by Telotristat ethyl mediated induction of CYP450 enzyme.	Small intestine developmental anomaly [DA90]	[50]
Larotrectinib	DM26CQR	Moderate	Decreased clearance of Palbociclib due to the transporter inhibition by Larotrectinib.	Solid tumour/cancer [2A00-2F9Z]	[49]
LEE011	DMMX75K	Moderate	Decreased metabolism of Palbociclib caused by LEE011 mediated inhibition of CYP450 enzyme.	Solid tumour/cancer [2A00-2F9Z]	[50]
Lusutrombopag	DMH6IKO	Moderate	Decreased clearance of Palbociclib due to the transporter inhibition by Lusutrombopag.	Thrombocytopenia [3B64]	[69]
Elagolix	DMB2C0E	Moderate	Increased metabolism of Palbociclib caused by Elagolix mediated induction of CYP450 enzyme.	Uterine fibroid [2E86]	[49]
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⏷ Show the Full List of 44 DDI Information of This Drug

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG

DIG Name	DIG ID	PubChem CID	Functional Classification
Ammonia	E00007	222	Alkalizing agent
Eisenoxyd	E00585	56841934	Colorant
Ferric hydroxide oxide yellow	E00539	23320441	Colorant
Lactose monohydrate	E00393	104938	Binding agent; Diluent; Dry powder inhaler carrier; Lyophilization aid
Magnesium stearate	E00208	11177	lubricant
Propylene glycol	E00040	1030	Antimicrobial preservative; Humectant; Plasticizing agent; Solvent
Silicon dioxide	E00670	Not Available	Anticaking agent; Opacifying agent; Viscosity-controlling agent
Titanium dioxide	E00322	26042	Coating agent; Colorant; Opacifying agent
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⏷ Show the Full List of 8 Pharmaceutical Excipients of This Drug

Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Palbociclib 100 mg capsule	100 mg	Oral Capsule	Oral
Palbociclib 125 mg capsule	125 mg	Oral Capsule	Oral
Palbociclib 75 mg capsule	75 mg	Oral Capsule	Oral

Jump to Detail Pharmaceutical Formulation Page of This Drug

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46	Product Information. Talzenna (talazoparib). Pfizer U.S. Pharmaceuticals Group, New York, NY.
47	Product Information. Verzenio (abemaciclib). Lilly, Eli and Company, Indianapolis, IN.
48	Product Information. Ibrance (palbociclib). Pfizer U.S. Pharmaceuticals Group, New York, NY.
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54	Product Information. Pifeltro (doravirine). Merck & Company Inc, Whitehouse Station, NJ.
55	Product Information. Orladeyo (berotralstat). BioCryst Pharmaceuticals Inc, Durham, NC.
56	Product Information. Zepzelca (lurbinectedin). Jazz Pharmaceuticals, Palo Alto, CA.
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58	Product Information. Gavreto (pralsetinib). Blueprint Medicines Corporation, Cambridge, MA.
59	Product Information. Copiktra (duvelisib). Verastem, Inc., Needham, MA.
60	Product Information. Calquence (acalabrutinib). Astra-Zeneca Pharmaceuticals, Wilmington, DE.
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