General Information of the Compound
Compound ID
CP0723935
Compound Name
(S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide
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Synonyms
(4S)-4-(4-cyano-2-metho
1,6-Naphthyridine-3-carboxamide, 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-1,4-dihydro-2,8-dimethyl-, (4S)-
1,6-Naphthyridine-3-carboxamide, 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-1,4-dihydro-2,8-dimethyl-, (4S)-;1,6-Naphthyridine-3-carboxamide, 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-1,4-dihydro-2,8-dimethyl-, (4S)-
1050477-31-0
BAY 94-8862
BAY94-8862
D10633
DE2O63YV8R
DTXSID10146928
Finerenone
Finerenone (JAN/USAN/INN)
Finerenone [USAN:INN]
GTPL8678
J3.584.878I
SCHEMBL8157011
UNII-DE2O63YV8R
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Structure
Formula
C21H22N4O3
Molecular Weight
378.432
Canonical SMILES
CCOc1ncc(C)c2c1[C@H](c1ccc(C#N)cc1OC)C(C(N)=O)=C(C)N2
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InChI
InChI=1S/C21H22N4O3/c1-5-28-21-18-17(14-7-6-13(9-22)8-15(14)27-4)16(20(23)26)12(3)25-19(18)11(2)10-24-21/h6-8,10,17,25H,5H2,1-4H3,(H2,23,26)/t17-/m1/s1
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InChIKey
BTBHLEZXCOBLCY-QGZVFWFLSA-N
CAS
1050477-31-0
Physicochemical Property
logP
2.9857
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
110.26
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
28

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 60150535
SID: 144081174
ChEMBL ID
CHEMBL2181927
DrugBank ID
DB16165
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00894, Androgen receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 >= 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00967, Glucocorticoid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 >= 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01154, Mineralocorticoid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 18 nM
   TI
   LI
   LO
   TS
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 58 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 18 nM
Protein ID: PT01172, Progesterone receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 >= 10000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Finerenone )
Drug Name Finerenone
Company Bayer
Indication
Chronic kidney disease
Approved
Diabetic nephropathy
Phase 3
Target(s)
Mineralocorticoid receptor (MR)
Antagonist