Drug Details

Name:

CHEMBL431985

PubChem ID:

44314053

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C23H38N8O5S/c1-31(13-19(32)29-17-10-5-9-16(20(17)33)21(24)25)22(34)18(11-6-12-28-23(26)27)30-37(35,36)14-15-7-3-2-4-8-15/h2-4,7-8,16-18,20,30,33H,5-6,9-14H2,1H3,(H3,24,25)(H,29,32)(H4,26,27,28)/t16?,17-,18+,20?/m0/s1

SMILES:

O=C(CN(C(=O)[C@H](NS(=O)(=O)Cc1ccccc1)CCCN=C(N)N)C)N[C@H]1CCCC(C1O)C(=N)N

Properties:

Formula:	C23H38N8O5S	Atoms:	37
Molecular Weight:	538.663	Rotatable Bonds:	15
H-bond Acceptors:	13	H-bond Donors:	7
logP:	2.6316

Targets:

Name	Uniprot ID	Source	References	Interaction
Coagulation factor X	FA10_HUMAN	BindingDB	-	shows
Plasminogen	PLMN_HUMAN	BindingDB	-	shows
Prothrombin	THRB_HUMAN	BindingDB	-	shows
Trypsin-1	TRY1_HUMAN	BindingDB	-	shows

enlarge table

Synonyms:

CHEBI:219739

CHEMBL431985

enlarge table