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iGMDRD549

Canonical SMILES: C=CC(=O)N1CCCC(C1)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N

InChI: InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1

InChI Key: XYFPWWZEPKGCCK-GOSISDBHSA-N

Standard Name	CHEMBL	Pubchem CID	DRUGBANK ID	Drug Status	Drug Type
Ibrutinib (PCI-32765)	CHEMBL1873475	24821100	DB09053	Alone	Small Molecule

Drug Class:

Antineoplastic Agents Antineoplastic and Immunomodulating Agents Azoles CYP3A Substrates (Sensitive)Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 CYP3A Substrates Heterocyclic Compounds Heterocyclic Compounds, 1-Ring Immunosuppressive Agents Kinase Inhibitor Myelosuppressive Agents Protein Kinase Inhibitors

Drug Targets:

BTK (Q06187)

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.
4854	NOTCH3	1
7514	XPO1	1
25937	WWTR1	1
695	BTK	5
472	ATM	1
5336	PLCG2	2
57111	RAB25	1
2113	ETS1	1
1977	EIF4E	1
4615	MYD88	2

Gene in drug-gene network: Network Plot

Models in Ibrutinib (PCI-32765)

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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.