Drug Details

Name:

CHEMBL544760

PubChem ID:

9894907

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C26H39N7O5S.ClH/c1-15-13-16-5-2-9-21(22(16)29-14-15)39(37,38)31-19-7-3-6-17-10-11-20(33(17)25(19)36)23(34)30-18-8-4-12-32(24(18)35)26(27)28;/h2,5,9,15,17-20,24,29,31,35H,3-4,6-8,10-14H2,1H3,(H3,27,28)(H,30,34);1H/t15?,17?,18-,19-,20-,24?;/m0./s1

SMILES:

CC1CNc2c(C1)cccc2S(=O)(=O)N[C@H]1CCC[C@@H]2N(C1=O)[C@@H](CC2)C(=O)N[C@H]1CCCN(C1O)C(=N)N.Cl

Properties:

Formula:	C26H40ClN7O5S	Atoms:	40
Molecular Weight:	598.158	Rotatable Bonds:	7
H-bond Acceptors:	12	H-bond Donors:	7
logP:	3.752

Targets:

Name	Uniprot ID	Source	References	Interaction
Cationic trypsin	TRY1_BOVIN	BindingDB	-	shows
Plasminogen	PLMN_HUMAN	BindingDB	-	shows
Prothrombin	THRB_HUMAN	BindingDB	-	shows

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Synonyms:

CHEBI:645423

CHEMBL544760

CID 9894907

CID9894907

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