BAY-6672   Click here for help

GtoPdb Ligand ID: 11283

Synonyms: BAY6672 | compound 46 [PMID: 32969660]
Compound class: Synthetic organic
Comment: BAY-6672 is a potent, selective and orally bioavailable prostanoid FP receptor antagonist [1]. It was developed to examine the potential of FP antagonism as an antifibrotic modality, particularly for the treatment of idiopathic pulmonary fibrosis (IPF). BAY-6672 has demonstrated efficacy in a preclinical animal model of lung fibrosis.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 82.53
Molecular weight 543.09
XLogP 6.38
No. Lipinski's rules broken 1
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Canonical SMILES OC(=O)CC[C@H](c1ccccc1Cl)CNC(=O)c1c(C)c(nc2c1cc(Br)cc2)N1CCCC1
Isomeric SMILES OC(=O)CC[C@H](c1ccccc1Cl)CNC(=O)c1c(C)c(nc2c1cc(Br)cc2)N1CCCC1
InChI InChI=1S/C26H27BrClN3O3/c1-16-24(20-14-18(27)9-10-22(20)30-25(16)31-12-4-5-13-31)26(34)29-15-17(8-11-23(32)33)19-6-2-3-7-21(19)28/h2-3,6-7,9-10,14,17H,4-5,8,11-13,15H2,1H3,(H,29,34)(H,32,33)/t17-/m0/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(4R)-5-[(6-bromo-3-methyl-2-pyrrolidin-1-ylquinoline-4-carbonyl)amino]-4-(2-chlorophenyl)pentanoic acid
Synonyms Click here for help
BAY6672 | compound 46 [PMID: 32969660]
Database Links Click here for help
Specialist databases
GPCRdb Ligand BAY-6672
Other databases
GtoPdb PubChem SID 434321718
PubChem CID 146368333
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