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iGMDRD650

Canonical SMILES: CCN1CCN(CC1)CC2=CN=C(C=C2)NC3=NC=C(C(=N3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)F

InChI: InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)

InChI Key: UZWDCWONPYILKI-UHFFFAOYSA-N

Standard Name	CHEMBL	Pubchem CID	DRUGBANK ID	Drug Status	Drug Type
Abemaciclib	CHEMBL3301610	46220500	DB12001	Alone	Small Molecule

Drug Class:

Amines BCRP/ABCG2 Inhibitors BCRP/ABCG2 Substrates Heterocyclic Compounds Heterocyclic Compounds, 1-Ring Heterocyclic Compounds, 2-Ring Kinase Inhibitor P-glycoprotein/ABCB1 Inhibitors P-glycoprotein/ABCB1 Substrates Pyridines

Drug Targets:

CDK4 (P11802)CDK6 (Q00534)

Drug-model tissue-cancer distribution: Bubble Plot

Drug-gene pathway enrichments

Drug-gene GO enrichments

Drug-Gene: Aster Plot

Gene ID	Gene Name	Model Num.
3845	KRAS	4
2064	ERBB2	1
7157	TP53	1
2099	ESR1	1

Gene in drug-gene network: Network Plot

Models in Abemaciclib

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DATATYPES

CLASSFICATION

Disclaimer: iGMDR is intended for research purposes only. Its information cannot be used for emergencies or medical or professional advice.