Drug Details

Name:

CHEMBL182956

PubChem ID:

10047261

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C22H29N5OS/c1-16(2)13-20(22(28)25-8-7-23)26-21-15-29-14-19(21)17-3-5-18(6-4-17)27-11-9-24-10-12-27/h3-6,14-16,20,24,26H,8-13H2,1-2H3,(H,25,28)/t20-/m0/s1

SMILES:

N#CCNC(=O)[C@@H](Nc1cscc1c1ccc(cc1)N1CCNCC1)CC(C)C

Properties:

Formula:	C22H29N5OS	Atoms:	29
Molecular Weight:	411.564	Rotatable Bonds:	9
H-bond Acceptors:	7	H-bond Donors:	3
logP:	4.14878

Targets:

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

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Synonyms:

(2S)-N-(cyanomethyl)-4-methyl-2-[[4-(4-piperazin-1-ylphenyl)thiophen-3-yl]

CHEBI:408007

CHEMBL182956

CID10047261

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