Drug Details

Name:

CHEMBL76522

PubChem ID:

44316486

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C29H29N5O9S/c1-17-7-6-8-18(11-17)13-42-25(38)23-19(15-44-28-32-30-16-33(28)12-22(35)36)14-43-27-29(41-3,26(39)34(23)27)31-24(37)20-9-4-5-10-21(20)40-2/h4-11,16,27H,12-15H2,1-3H3,(H,31,37)(H,35,36)/t27?,29-/m0/s1

SMILES:

CO[C@@]1(NC(=O)c2ccccc2OC)C(=O)N2[C@@H]1OCC(=C2C(=O)OCc1cccc(c1)C)CSc1nncn1CC(=O)O

Properties:

Formula:	C29H29N5O9S	Atoms:	44
Molecular Weight:	623.634	Rotatable Bonds:	14
H-bond Acceptors:	15	H-bond Donors:	2
logP:	2.0693

Targets:

Name	Uniprot ID	Source	References	Interaction
Cathepsin G	CATG_HUMAN	BindingDB	-	shows
Cationic trypsin	TRY1_BOVIN	BindingDB	-	shows
Chymase	CMA1_HUMAN	BindingDB	-	shows
Neutrophil elastase	ELNE_HUMAN	BindingDB	-	shows
Plasminogen	PLMN_HUMAN	BindingDB	-	shows
Prothrombin	THRB_HUMAN	BindingDB	-	shows

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Synonyms:

CHEBI:225073

CHEMBL76522

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