Drug Details

Name:

CHEMBL332578

PubChem ID:

44346995

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C12H22N6O2S.C2HF3O2/c13-7-2-3-9-18(11(7)20)8(6-21-9)10(19)16-4-1-5-17-12(14)15;3-2(4,5)1(6)7/h7-9H,1-6,13H2,(H,16,19)(H4,14,15,17);(H,6,7)/t7-,8-,9?;/m0./s1

SMILES:

OC(=O)C(F)(F)F.O=C([C@@H]1CS[C@@H]2N1C(=O)[C@H](CC2)N)NCCCN=C(N)N

Properties:

Formula:	C14H23F3N6O4S	Atoms:	28
Molecular Weight:	428.43	Rotatable Bonds:	7
H-bond Acceptors:	11	H-bond Donors:	5
logP:	1.2203

Targets:

Name	Uniprot ID	Source	References	Interaction
Cationic trypsin	TRY1_BOVIN	BindingDB	-	shows
Coagulation factor X	FA10_HUMAN	BindingDB	-	shows
Prothrombin	THRB_HUMAN	BindingDB	-	shows

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Synonyms:

CHEBI:300004

CHEMBL332578

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