PALBOCICLIB

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H29N7O2
Molecular Weight	447.5328
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PALBOCICLIB

Structure Search

SMILES

CC(=O)C1=C(C)C2=CN=C(NC3=NC=C(C=C3)N4CCNCC4)N=C2N(C5CCCC5)C1=O

InChI

InChIKey=AHJRHEGDXFFMBM-UHFFFAOYSA-N

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)

HIDE SMILES / InChI

Molecular Formula	C24H29N7O2
Molecular Weight	447.5328
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:38:50 UTC 2023` Edited by `admin` on `Fri Dec 15 19:38:50 UTC 2023`
Record UNII	G9ZF61LE7G
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PALBOCICLIB

Official Name

English

Palbociclib [WHO-DD]

Common Name

English

PALBOCICLIB [MI]

Common Name

English

6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-((5-(PIPERAZIN-1-YL)PYRIDIN-2-YL)AMINO)-8H-PYRIDO(2,3-D)PYRIMIDIN-7-ONE

Systematic Name

English

IBRANCE

Brand Name

English

PYRIDO(2,3-D)PYRIMIDIN-7(8H)-ONE, 6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-((5-(1-PIPERAZINYL)-2-PYRIDINYL)AMINO)-

Systematic Name

English

6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-((5-(PIPERAZIN-1-YL)PYRIDIN-2-YL)AMINO(PYRIDO(2,3-D)PYRIMIDIN-7(8H)-ONE

Common Name

English

PALBOCICLIB [USAN]

Common Name

English

PALBOCICLIB [JAN]

Common Name

English

PD-0332991

Code

English

palbociclib [INN]

Common Name

English

PALBOCICLIB [ORANGE BOOK]

Common Name

English

Classification Tree Code System Code

WHO-ATC

L01XE33

Created by admin on Fri Dec 15 19:38:50 UTC 2023 , Edited by admin on Fri Dec 15 19:38:50 UTC 2023

FDA ORPHAN DRUG

781420

Created by admin on Fri Dec 15 19:38:50 UTC 2023 , Edited by admin on Fri Dec 15 19:38:50 UTC 2023

NCI_THESAURUS

C2185

Created by admin on Fri Dec 15 19:38:50 UTC 2023 , Edited by admin on Fri Dec 15 19:38:50 UTC 2023

NCI_THESAURUS

C129825

Created by admin on Fri Dec 15 19:38:50 UTC 2023 , Edited by admin on Fri Dec 15 19:38:50 UTC 2023

NDF-RT

N0000175605

Created by admin on Fri Dec 15 19:38:50 UTC 2023 , Edited by admin on Fri Dec 15 19:38:50 UTC 2023

Code System Code Type Description

FDA UNII

G9ZF61LE7G

Created by admin on Fri Dec 15 19:38:50 UTC 2023 , Edited by admin on Fri Dec 15 19:38:50 UTC 2023

PRIMARY

MERCK INDEX

m11849

Created by admin on Fri Dec 15 19:38:50 UTC 2023 , Edited by admin on Fri Dec 15 19:38:50 UTC 2023

PRIMARY

EVMPD

SUB177204

Created by admin on Fri Dec 15 19:38:50 UTC 2023 , Edited by admin on Fri Dec 15 19:38:50 UTC 2023

PRIMARY

CHEBI

85993

Created by admin on Fri Dec 15 19:38:50 UTC 2023 , Edited by admin on Fri Dec 15 19:38:50 UTC 2023

PRIMARY

NDF-RT

N0000175082

Created by admin on Fri Dec 15 19:38:50 UTC 2023 , Edited by admin on Fri Dec 15 19:38:50 UTC 2023

PRIMARY

Kinase Inhibitors [MoA]

EPA CompTox

DTXSID40972590

Created by admin on Fri Dec 15 19:38:50 UTC 2023 , Edited by admin on Fri Dec 15 19:38:50 UTC 2023

PRIMARY

NCI_THESAURUS

C49176

Created by admin on Fri Dec 15 19:38:50 UTC 2023 , Edited by admin on Fri Dec 15 19:38:50 UTC 2023

PRIMARY

ChEMBL

CHEMBL189963

Created by admin on Fri Dec 15 19:38:50 UTC 2023 , Edited by admin on Fri Dec 15 19:38:50 UTC 2023

PRIMARY

NDF-RT

N0000190114

Created by admin on Fri Dec 15 19:38:50 UTC 2023 , Edited by admin on Fri Dec 15 19:38:50 UTC 2023

PRIMARY

Cytochrome P450 3A Inhibitors [MoA]

RXCUI

1601374

Created by admin on Fri Dec 15 19:38:50 UTC 2023 , Edited by admin on Fri Dec 15 19:38:50 UTC 2023

PRIMARY

RxNorm

USAN

ZZ-152

Created by admin on Fri Dec 15 19:38:50 UTC 2023 , Edited by admin on Fri Dec 15 19:38:50 UTC 2023

PRIMARY

SMS_ID

100000163078

Created by admin on Fri Dec 15 19:38:50 UTC 2023 , Edited by admin on Fri Dec 15 19:38:50 UTC 2023

PRIMARY

PUBCHEM

5330286

Created by admin on Fri Dec 15 19:38:50 UTC 2023 , Edited by admin on Fri Dec 15 19:38:50 UTC 2023

PRIMARY

DAILYMED

G9ZF61LE7G

Created by admin on Fri Dec 15 19:38:50 UTC 2023 , Edited by admin on Fri Dec 15 19:38:50 UTC 2023

PRIMARY

INN

9802

Created by admin on Fri Dec 15 19:38:50 UTC 2023 , Edited by admin on Fri Dec 15 19:38:50 UTC 2023

PRIMARY

WIKIPEDIA

Palbociclib

Created by admin on Fri Dec 15 19:38:50 UTC 2023 , Edited by admin on Fri Dec 15 19:38:50 UTC 2023

PRIMARY

LACTMED

Palbociclib

Created by admin on Fri Dec 15 19:38:50 UTC 2023 , Edited by admin on Fri Dec 15 19:38:50 UTC 2023

PRIMARY

CAS

571190-30-2

Created by admin on Fri Dec 15 19:38:50 UTC 2023 , Edited by admin on Fri Dec 15 19:38:50 UTC 2023

PRIMARY

DRUG CENTRAL

4941

Created by admin on Fri Dec 15 19:38:50 UTC 2023 , Edited by admin on Fri Dec 15 19:38:50 UTC 2023

PRIMARY

DRUG BANK

DB09073

Created by admin on Fri Dec 15 19:38:50 UTC 2023 , Edited by admin on Fri Dec 15 19:38:50 UTC 2023

PRIMARY

IUPHAR

7380

Created by admin on Fri Dec 15 19:38:50 UTC 2023 , Edited by admin on Fri Dec 15 19:38:50 UTC 2023

PRIMARY

Related Record Type Details


					W1NYL2IRDR

PALBOCICLIB ISETHIONATE

SALT/SOLVATE -> PARENT


					BKC4F3Q5XL

PALBOCICLIB HYDROCHLORIDE

SALT/SOLVATE -> PARENT


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> SUBSTRATE


					76UB6O122H

ATP-BINDING CASSETTE SUB-FAMILY G MEMBER 2

TRANSPORTER -> SUBSTRATE


					G9ZF61LE7G

EXCRETED UNCHANGED

Qualification:

URINE

Amount:


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					0UY97CSG1T

CYTOCHROME P450 2B6

METABOLIC ENZYME -> NON-INDUCER

Amount:


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE

Amount:


					5M46696SR5

CYCLIN-DEPENDENT KINASE 4

TARGET -> INHIBITOR

Qualification:

IC50

Amount:


					G9ZF61LE7G

EXCRETED UNCHANGED

Qualification:

FECAL

Amount:


					VC4EQE3CAI

CYCLIN-DEPENDENT KINASE 6

TARGET -> INHIBITOR

Qualification:

IC50

Amount:

Related Record Type Details


					42ZX2XWP8U

6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-((5-(3-OXOPIPERAZIN-1-YL)-2-PYRIDYL)AMINO)PYRIDO(2,3-D)PYRIMIDIN-7-ONE

METABOLITE -> PARENT


					2AQ74U7L98

6-ACETYL-8-CYCLOPENTYL-2-((5-(3-HYDROXYPIPERAZIN-1-YL)-2-PYRIDYL)AMINO)-5-METHYL-PYRIDO(2,3-D)PYRIMIDIN-7-ONE

METABOLITE -> PARENT


					LEJ25Z8GJV

4-(6-((6-ACETYL-8-CYCLOPENTYL-5-METHYL-7-OXO-PYRIDO(2,3-D)PYRIMIDIN-2-YL)AMINO)-3-PYRIDYL)PIPERAZINE-1-SULFINIC ACID

METABOLITE -> PARENT


					3M2KG2UE89

2-((6-((6-ACETYL-8-CYCLOPENTYL-5-METHYL-7-OXO-PYRIDO(2,3-D)PYRIMIDIN-2-YL)AMINO)-3-PYRIDYL)AMINO)ACETIC ACID

METABOLITE -> PARENT


					HXS2ZN5MDY

6-ACETYL-8-CYCLOPENTYL-2-((4-HYDROXY-5-PIPERAZIN-1-YL-2-PYRIDYL)AMINO)-5-METHYL-PYRIDO(2,3-D)PYRIMIDIN-7-ONE

METABOLITE -> PARENT


					DMA9PH4XE3

6-ACETYL-2-(5-(2-AMINOETHYLAMINO)PYRIDIN-2-YLAMINO)-8-CYCLOPENTYL-5-METHYL-8H-PYRIDO(2,3-D)PYRIMIDIN-7-ONE

METABOLITE -> PARENT


					2U4FX2B8KH

6-ACETYL-2-AMINO-8-CYCLOPENTYL-5-METHYL-8H-PYRIDO(2,3-D)PYRIMIDIN-7-ONE

METABOLITE -> PARENT


					UC494VDS3Q

6-ACETYL-8-CYCLOPENTYL-2-((5-(2,5-DIHYDROXYPIPERAZIN-1-YL)-2-PYRIDYL)AMINO)-5-METHYL-PYRIDO(2,3-D)PYRIMIDIN-7-ONE

METABOLITE -> PARENT


					34V8J3Z3TR

4-(6-((6-ACETYL-8-CYCLOPENTYL-5-METHYL-7-OXO-PYRIDO(2,3-D)PYRIMIDIN-2-YL)AMINO)-3-PYRIDYL)PIPERAZINE-2-CARBALDEHYDE

METABOLITE -> PARENT


					ECT33K4N55

6-ACETYL-2-((5-(4-ACETYL-1-PIPERAZINYL)-2-PYRIDINYL)AMINO)-8-CYCLOPENTYL-5-METHYLPYRIDO(2,3-D)PYRIMIDIN-7(8H)-ONE

METABOLITE -> PARENT


					H08S5BQ3TJ

4-(6-((6-ACETYL-8-CYCLOPENTYL-5-METHYL-7-OXO-7,8-DIHYDROPYRIDO(2,3-D)PYRIMIDIN-2-YL)AMINO)PYRIDIN-3-YL)PIPERAZINE-1-SULFONIC ACID

METABOLITE -> PARENT

Interaction Type:

MAJOR

Qualification:

PLASMA


					MFE52VXZ4H

PYRIDO(2,3-D)PYRIMIDIN-7(8H)-ONE, 6-ACETYL-8-CYCLOPENTYL-2-((5-(4-HYDROXY-1-PIPERAZINYL)-2-PYRIDINYL)AMINO)-5-METHYL-

METABOLITE -> PARENT

Related Record Type Details


					CQ6Y33H744

Palbociclib N-Oxide

IMPURITY -> PARENT

Amount:


					NJB3FNK33C

PALBOCICLIB N-FORMYL IMPURITY

IMPURITY -> PARENT

Amount:

Related Record Type Details


					G9ZF61LE7G

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
log P	CHEMICAL

Biological Half-life	PHARMACOKINETIC

pKa	CHEMICAL

pKa	CHEMICAL

Tmax	PHARMACOKINETIC				ORAL ADMINISTRATION

CSF/PLASMA RATIO	PHARMACOKINETIC				ROUTE OF ADMINISTRATION PHARMACOKINETIC DOSE PHARMACOKINETIC brain-to-plasma AUC ratios PHARMACOKINETIC

Volume of Distribution	PHARMACOKINETIC