AZD-9977

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 6C9UKZ0CYE

Structure
InChI Key MBKYLPOPYYLTNW-ZDUSSCGKSA-N
Smile CNC(=O)C[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2c(c1)NC(=O)CO2
InChI
InChI=1S/C20H18FN3O5/c1-22-18(25)8-13-9-28-17-7-12(21)3-4-15(17)24(13)20(27)11-2-5-16-14(6-11)23-19(26)10-29-16/h2-7,13H,8-10H2,1H3,(H,22,25)(H,23,26)/t13-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H18FN3O5
Molecular Weight 399.38
AlogP 1.7
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 96.97
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
MODULATOR Mineralocorticoid receptor modulator PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 1
- - - 2512 -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 2
13 316-398 - 40 90-109

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Heart Failure 1 D006333 ClinicalTrials
Cardiovascular Diseases 1 D002318 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3916929
DrugBank DB15418
FDA SRS 6C9UKZ0CYE
Guide to Pharmacology 11281
PDB ECV
PubChem 118599727
SureChEMBL SCHEMBL17363859
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