Drug Details

Name:

CHEMBL1085975

PubChem ID:

46891129

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C32H41N3O7/c1-3-42-28(36)19-33-32(40)29(37)27(21-41-20-24-12-8-5-9-13-24)35-31(39)26(18-23-10-6-4-7-11-23)34-30(38)25-16-14-22(2)15-17-25/h5,8-9,12-17,23,26-27H,3-4,6-7,10-11,18-21H2,1-2H3,(H,33,40)(H,34,38)(H,35,39)/t26-,27?/m0/s1

SMILES:

CCOC(=O)CNC(=O)C(=O)C(NC(=O)[C@@H](NC(=O)c1ccc(cc1)C)CC1CCCCC1)COCc1ccccc1

Properties:

Formula:	C32H41N3O7	Atoms:	42
Molecular Weight:	579.684	Rotatable Bonds:	19
H-bond Acceptors:	10	H-bond Donors:	3
logP:	4.1865

Targets:

Name	Uniprot ID	Source	References	Interaction
Cathepsin S	CATS_HUMAN	BindingDB	-	shows

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Synonyms:

CHEBI:733235

CHEMBL1085975

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