Drug Details

Name:

CHEMBL316376

PubChem ID:

44320492

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C25H32N6O5S.C2HF3O2/c26-25(27)30-14-6-10-19(23(30)33)28-22(32)15-31-21-11-5-4-9-18(21)12-13-20(24(31)34)29-37(35,36)16-17-7-2-1-3-8-17;3-2(4,5)1(6)7/h1-5,7-9,11,19-20,23,29,33H,6,10,12-16H2,(H3,26,27)(H,28,32);(H,6,7)/t19-,20+,23?;/m0./s1

SMILES:

OC(=O)C(F)(F)F.O=C(CN1C(=O)[C@@H](CCc2c1cccc2)NS(=O)(=O)Cc1ccccc1)N[C@H]1CCCN(C1O)C(=N)N

Properties:

Formula:	C27H33F3N6O7S	Atoms:	44
Molecular Weight:	642.647	Rotatable Bonds:	10
H-bond Acceptors:	13	H-bond Donors:	6
logP:	3.5453

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:239289

CHEMBL316376

enlarge table