Drug Details

Name:

CHEMBL163218

PubChem ID:

44377549

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C25H39N9O7S.C2HF3O2/c26-24(27)33-10-7-15(8-11-33)12-19(32-42(40,41)14-16-4-1-2-5-17(16)23(38)39)21(36)30-13-20(35)31-18-6-3-9-34(22(18)37)25(28)29;3-2(4,5)1(6)7/h1-2,4-5,15,18-19,22,32,37H,3,6-14H2,(H3,26,27)(H3,28,29)(H,30,36)(H,31,35)(H,38,39);(H,6,7)/t18-,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)Cc1ccccc1C(=O)O)CC1CCN(CC1)C(=N)N

Properties:

Formula:	C27H40F3N9O9S	Atoms:	49
Molecular Weight:	723.722	Rotatable Bonds:	16
H-bond Acceptors:	18	H-bond Donors:	10
logP:	2.4397

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:373591

CHEMBL163218

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