Drug Details

Name:

CHEMBL315454

PubChem ID:

44320396

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C26H34N6O6S.C2HF3O2/c1-38-19-11-9-18-10-12-21(30-39(36,37)16-17-6-3-2-4-7-17)25(35)32(22(18)14-19)15-23(33)29-20-8-5-13-31(24(20)34)26(27)28;3-2(4,5)1(6)7/h2-4,6-7,9,11,14,20-21,24,30,34H,5,8,10,12-13,15-16H2,1H3,(H3,27,28)(H,29,33);(H,6,7)/t20-,21-,24?;/m0./s1

SMILES:

OC(=O)C(F)(F)F.COc1ccc2c(c1)N(CC(=O)N[C@H]1CCCN(C1O)C(=N)N)C(=O)[C@H](CC2)NS(=O)(=O)Cc1ccccc1

Properties:

Formula:	C28H35F3N6O8S	Atoms:	46
Molecular Weight:	672.673	Rotatable Bonds:	11
H-bond Acceptors:	14	H-bond Donors:	6
logP:	3.5539

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:239101

CHEMBL315454

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