Drug Details

Name:

CHEMBL162443

PubChem ID:

44377453

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C24H39N9O5S.C2HF3O2/c25-23(26)32-10-4-8-17(14-32)12-19(31-39(37,38)15-16-6-2-1-3-7-16)21(35)29-13-20(34)30-18-9-5-11-33(22(18)36)24(27)28;3-2(4,5)1(6)7/h1-3,6-7,17-19,22,31,36H,4-5,8-15H2,(H3,25,26)(H3,27,28)(H,29,35)(H,30,34);(H,6,7)/t17?,18-,19+,22?;/m0./s1

SMILES:

OC(=O)C(F)(F)F.O=C(N[C@H]1CCCN(C1O)C(=N)N)CNC(=O)[C@H](NS(=O)(=O)Cc1ccccc1)CC1CCCN(C1)C(=N)N

Properties:

Formula:	C26H40F3N9O7S	Atoms:	46
Molecular Weight:	679.712	Rotatable Bonds:	15
H-bond Acceptors:	16	H-bond Donors:	9
logP:	2.7415

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:373357

CHEMBL162443

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