Drug Information

General Information
Drug ID
DR01288
Drug Name
Palbociclib
Synonyms
LQQ; 571190-30-2; 6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE; 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-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; 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-one; G9ZF61LE7G; HMR-2934; Ibrance; PD 0332991; PD 332991; PD 332991, PD 0332991, PD0332991; PD-0332991; PD-332991; PD0332991; Palbociclib(PD0332991); UNII-G9ZF61LE7G
Drug Type
Small molecular drug
Indication Breast cancer [ICD11:2C60-2C6Z] Approved [1]
Therapeutic Class
Anticancer Agents
Structure
3D MOL 2D MOL
Formula
C24H29N7O2
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
CAS Number
CAS 571190-30-2
Pharmaceutical Properties Molecular Weight 447.5 Topological Polar Surface Area 103
Heavy Atom Count 33 Rotatable Bond Count 5
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 8
XLogP
1.8
PubChem CID
5330286
PubChem SID
8035907 ,11062094 ,11538604 ,12015755 ,14808444 ,17137183 ,39302900 ,46394060 ,57361299 ,78833389 ,99436913 ,103461613 ,103905660 ,103905661 ,113915142 ,121280258 ,124360805 ,124757012 ,125164718 ,126580155 ,126671645 ,126737419 ,131480762 ,134339015 ,134339302 ,134339471 ,134964422 ,135262045 ,135686212 ,135686213 ,135686228 ,135686229 ,136367313 ,136367838 ,136920362 ,137184856 ,137275973 ,141483504 ,143498887 ,144116345 ,152240013 ,152258827 ,152344089 ,160647678 ,162202562 ,164045126 ,172232465 ,172919351 ,177748911 ,178103952
ChEBI ID
CHEBI:85993
TTD Drug ID
D00UZR
DT(s) Transporting This Drug BCRP Transporter Info Breast cancer resistance protein Substrate [2]
P-GP Transporter Info P-glycoprotein 1 Substrate [2]
References
1 Palbociclib was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019)
2 Efflux transporters at the blood-brain barrier limit delivery and efficacy of cyclin-dependent kinase 4/6 inhibitor palbociclib (PD-0332991) in an orthotopic brain tumor model. J Pharmacol Exp Ther. 2015 Nov;355(2):264-71.

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