Drug Details

Name:

CHEMBL316213

PubChem ID:

44320751

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C29H34N6O6S.C2HF3O2/c1-41-21-10-13-25-20(15-21)9-12-24(33-42(39,40)22-11-8-18-5-2-3-6-19(18)16-22)28(38)35(25)17-26(36)32-23-7-4-14-34(27(23)37)29(30)31;3-2(4,5)1(6)7/h2-3,5-6,8,10-11,13,15-16,23-24,27,33,37H,4,7,9,12,14,17H2,1H3,(H3,30,31)(H,32,36);(H,6,7)/t23-,24-,27?;/m0./s1

SMILES:

OC(=O)C(F)(F)F.COc1ccc2c(c1)CC[C@@H](C(=O)N2CC(=O)N[C@H]1CCCN(C1O)C(=N)N)NS(=O)(=O)c1ccc2c(c1)cccc2

Properties:

Formula:	C31H35F3N6O8S	Atoms:	49
Molecular Weight:	708.705	Rotatable Bonds:	10
H-bond Acceptors:	14	H-bond Donors:	6
logP:	4.566

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

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Synonyms:

CHEBI:239828

CHEMBL316213

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