Drug Details

Name:

CHEMBL407631

PubChem ID:

44326631

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C33H33N5O4S/c39-32(35-20-10-18-28-22-34-24-36-28)29-19-11-21-38(29)33(40)31(37-43(41,42)23-25-12-4-1-5-13-25)30(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,12-17,22,24,29-31,37H,11,19-21,23H2,(H,34,36)(H,35,39)/t29-,31+/m0/s1

SMILES:

O=C([C@@H]1CCCN1C(=O)[C@@H](C(c1ccccc1)c1ccccc1)NS(=O)(=O)Cc1ccccc1)NCC#Cc1cnc[nH]1

Properties:

Formula:	C33H33N5O4S	Atoms:	43
Molecular Weight:	595.711	Rotatable Bonds:	12
H-bond Acceptors:	8	H-bond Donors:	3
logP:	4.9892

Targets:

Name	Uniprot ID	Source	References	Interaction
Cationic trypsin	TRY1_BOVIN	BindingDB	-	shows
Prothrombin	THRB_HUMAN	BindingDB	-	shows

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Synonyms:

CHEBI:252885

CHEMBL407631

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