BMS-193884   Click here for help

GtoPdb Ligand ID: 13016

Synonyms: BMS 193884 | BMS193884 | compound 3 [PMID: 10956219]
Compound class: Synthetic organic
Comment: BMS-193884 is a selective endothelin receptor A (ETA) antagonist [1-3]. Its clinical pharmacological profile supported progression as a clinical candidate for studies in congestive heart failure.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 97.73
Molecular weight 395.43
XLogP 1.94
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC1=C(NS(=O)(=O)C2=C(C=CC=C2)C3=CC=C(C=C3)C4=NC=CO4)ON=C1C
Isomeric SMILES CC1=C(ON=C1C)NS(=O)(=O)C2=CC=CC=C2C3=CC=C(C=C3)C4=NC=CO4
InChI InChI=1S/C20H17N3O4S/c1-13-14(2)22-27-19(13)23-28(24,25)18-6-4-3-5-17(18)15-7-9-16(10-8-15)20-21-11-12-26-20/h3-12,23H,1-2H3
InChI Key LJGUZUROJOJEMI-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide
Synonyms Click here for help
BMS 193884 | BMS193884 | compound 3 [PMID: 10956219]
Database Links Click here for help
Specialist databases
GPCRdb Ligand BMS-193884
Other databases
BindingDB Ligand 50091105
CAS Registry No. 176960-47-7 (source: PubChem)
ChEMBL Ligand CHEMBL24461
GtoPdb PubChem SID 485206137
PubChem CID 9843631
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