Drug Details

Name:

CHEMBL44050

PubChem ID:

44290947

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C27H28N4O4/c1-16(23(27(34)35-2)14-17-5-3-7-21(13-17)24(28)29)31-26(33)19-11-9-18(10-12-19)20-6-4-8-22(15-20)25(30)32/h3-13,15-16,23H,14H2,1-2H3,(H3,28,29)(H2,30,32)(H,31,33)/t16-,23+/m1/s1

SMILES:

COC(=O)[C@@H]([C@H](NC(=O)c1ccc(cc1)c1cccc(c1)C(=O)N)C)Cc1cccc(c1)C(=N)N

Properties:

Formula:	C27H28N4O4	Atoms:	35
Molecular Weight:	472.536	Rotatable Bonds:	11
H-bond Acceptors:	8	H-bond Donors:	4
logP:	4.778

Targets:

Name	Uniprot ID	Source	References	Interaction
Coagulation factor X	FA10_HUMAN	BindingDB	-	shows
Plasminogen	PLMN_HUMAN	BindingDB	-	shows
Prothrombin	THRB_HUMAN	BindingDB	-	shows
Tissue-type plasminogen activator	TPA_HUMAN	BindingDB	-	shows
Trypsin-1	TRY1_HUMAN	BindingDB	-	shows
Vitamin K-dependent protein C	PROC_HUMAN	BindingDB	-	shows

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Synonyms:

CHEBI:167942

CHEMBL44050

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