Drug Details

Name:

3-[(3'-AMINOMETHYL-BIPHENYL-4-CARBONYL)-AMINO]-2-(3-CARBAMIMIDOYL-BENZYL)-BUTYRIC ACID METHYL ESTER

PubChem ID:

5497056

Pathway:

Show KEGG pathways

InChI:

InChI=1/C27H30N4O3/c1-17(24(27(33)34-2)15-18-5-3-8-23(13-18)25(29)30)31-26(32)21-11-9-20(10-12-21)22-7-4-6-19(14-22)16-28/h3-14,17,24H,15-16,28H2,1-2H3,(H3,29,30)(H,31,32)/t17-,24-/m1/s1/f/h29,31H,30H2/b29-25-

SMILES:

C[C@H]([C@H](Cc1cccc(c1)/C(=N\[H])N)C(=O)OC)NC(c1ccc(cc1)c1cccc(c1)CN)=O

Properties:

Formula:	C27H30N4O3	Atoms:	37
Molecular Weight:	458.552	Rotatable Bonds:	11
H-bond Acceptors:	7	H-bond Donors:	1
logP:	5.1378

Targets:

Name	Uniprot ID	Source	References	Interaction
Cationic trypsin	TRY1_BOVIN	BindingDB	-	shows
Coagulation factor X	FA10_HUMAN	BindingDB	-	shows
Prothrombin	THRB_HUMAN	BindingDB	-	shows
Trypsin-1	TRY1_HUMAN	BindingDB	-	shows

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Synonyms:

1ezq

1f0u

3-[(3'-AMINOMETHYL-BIPHENYL-4-CARBONYL)-AMINO]-2-(3-CARBAMIMIDOYL-BENZYL)-

3-[(3'-AMINOMETHYL-BIPHENYL-4-CARBONYL)-AMINO]-2-(3-CARBAMIMIDOYL-BENZYL)-BUTYRIC ACID METHYL ESTER

AC1L9I23

CHEBI:45552

CHEMBL48046

DB04424

RPR

RPR128515

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