Drug Details

Name:

CHEMBL212907

PubChem ID:

9891030

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C27H31N5OS/c1-19(2)15-24(26(33)30-10-9-28)22-7-3-5-20(16-22)21-6-4-8-23(17-21)25-18-34-27(31-25)32-13-11-29-12-14-32/h3-8,16-19,24,29H,10-15H2,1-2H3,(H,30,33)

SMILES:

N#CCNC(=O)C(c1cccc(c1)c1cccc(c1)c1csc(n1)N1CCNCC1)CC(C)C

Properties:

Formula:	C27H31N5OS	Atoms:	34
Molecular Weight:	473.633	Rotatable Bonds:	9
H-bond Acceptors:	7	H-bond Donors:	2
logP:	5.44088

Targets:

Name	Uniprot ID	Source	References	Interaction
Cathepsin B	CATB_HUMAN	BindingDB	-	shows
Cathepsin L1	CATL1_HUMAN	BindingDB	-	shows
Cathepsin S	CATS_HUMAN	BindingDB	-	shows

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Synonyms:

CHEBI:456001

CHEMBL212907

CID9891030

N-(cyanomethyl)-4-methyl-2-[3-[3-(2-piperazin-1-yl-1,3-thiazol-4-yl)phenyl

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