baxdrostat   Click here for help

GtoPdb Ligand ID: 12362

Synonyms: CIN-107 | CIN107 | RO6836191
Compound class: Synthetic organic
Comment: Baxdrostat (CIN-107, formerly RO6836191 [1]) is a selective, oral aldosterone synthase (CYP11B2) inhibitor. It inhibits aldosterone biosynthesis but does not alter plasma cortisol, which demonstrates its selectivity for CYP11B2 [3]. Baxdrostat is being developed by CinCor Pharma as a potential intervention for treatment resistant hypertension.
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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 4
Topological polar surface area 62.3
Molecular weight 363.19
XLogP 2.31
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCC(=O)N[C@@H]1CCCc2c1cncc2c1ccc2c(c1)CCC(=O)N2C
Isomeric SMILES CCC(=O)N[C@@H]1CCCc2c1cncc2c1cc2c(cc1)N(C(=O)CC2)C
InChI InChI=1S/C22H25N3O2/c1-3-21(26)24-19-6-4-5-16-17(12-23-13-18(16)19)14-7-9-20-15(11-14)8-10-22(27)25(20)2/h7,9,11-13,19H,3-6,8,10H2,1-2H3,(H,24,26)/t19-/m1/s1
InChI Key VDEUDSRUMNAXJG-LJQANCHMSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[(8R)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
International Nonproprietary Names Click here for help
INN number INN
11673 baxdrostat
Synonyms Click here for help
CIN-107 | CIN107 | RO6836191
Database Links Click here for help
BindingDB Ligand 233806
CAS Registry No. 1428652-17-8 (source: WHO INN record)
ChEMBL Ligand CHEMBL4113975
GtoPdb PubChem SID 479821153
PubChem CID 71535962
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