Drug Details

Name:

CHEMBL164419

PubChem ID:

44377545

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C25H39N13O5S.C2HF3O2/c26-24(27)36-10-7-16(8-11-36)12-19(22(40)30-13-21(39)32-18-5-3-9-37(23(18)41)25(28)29)33-44(42,43)14-17-4-1-2-6-20(17)38-15-31-34-35-38;3-2(4,5)1(6)7/h1-2,4,6,15-16,18-19,23,33,41H,3,5,7-14H2,(H3,26,27)(H3,28,29)(H,30,40)(H,32,39);(H,6,7)/t18-,19+,23?;/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)Cc1ccccc1n1cnnn1)CC1CCN(CC1)C(=N)N

Properties:

Formula:	C27H40F3N13O7S	Atoms:	51
Molecular Weight:	747.75	Rotatable Bonds:	16
H-bond Acceptors:	20	H-bond Donors:	9
logP:	1.7172

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:373589

CHEMBL164419

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