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iGMDRD540

Canonical SMILES: COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC

InChI: InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33)

InChI Key: ZLHFILGSQDJULK-UHFFFAOYSA-N

Standard Name	CHEMBL	Pubchem CID	DRUGBANK ID	Drug Status	Drug Type
Alisertib	CHEMBL3586471 CHEMBL483158 CHEMBL2103871	24771900	DB05220	Alone	Small Molecule

Drug Class:

Heterocyclic Compounds Heterocyclic Compounds, 1-Ring Protein Kinase Inhibitors

Drug Targets:

AURKA (O14965)

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.
2956	MSH6	1
4170	MCL1	1
2625	GATA3	1
5159	PDGFRB	1
983	CDK1	1
5834	PYGB	1
4086	SMAD1	1
1869	E2F1	1
6790	AURKA	1
2065	ERBB3	1
1803	DPP4	1

Gene in drug-gene network: Network Plot

Models in Alisertib

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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.