Drug Details

Name:

alpha-ketothiazole analogue 33

PubChem ID:

16098911

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C29H44BrN11O4S/c1-16(2)22(25(44)39-20(6-4-12-36-27(31)32)23(42)26-35-14-15-46-26)41-24(43)21(7-5-13-37-28(33)34)40-29(45)38-17(3)18-8-10-19(30)11-9-18/h8-11,14-17,20-22H,4-7,12-13H2,1-3H3,(H,39,44)(H,41,43)(H4,31,32,36)(H4,33,34,37)(H2,38,40,45)/t17-,20+,21+,22+/m1/s1

SMILES:

O=C(N[C@@H](c1ccc(cc1)Br)C)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)c1nccs1)CCCN=C(N)N)C(C)C)CCCN=C(N)N

Properties:

Formula:	C29H44BrN11O4S	Atoms:	46
Molecular Weight:	722.7	Rotatable Bonds:	22
H-bond Acceptors:	16	H-bond Donors:	8
logP:	5.6149

Targets:

Name	Uniprot ID	Source	References	Interaction
Coagulation factor X	FA10_HUMAN	BindingDB	-	shows
Coagulation factor XI	FA11_HUMAN	BindingDB	-	shows
Prothrombin	THRB_HUMAN	BindingDB	-	shows

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Synonyms:

()-oxazepam hemisuccinate sodium salt

alpha-ketothiazole analogue 33

CHEMBL384971

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