FOSDAGROCORAT

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: HPI19004QS

Structure
InChI Key BVXLAHSJXXSWFF-KEKPKEOLSA-N
Smile Cc1ncccc1NC(=O)c1ccc2c(c1)CC[C@@H]1C[C@@](OP(=O)(O)O)(C(F)(F)F)CC[C@@]21Cc1ccccc1
InChI
InChI=1S/C29H30F3N2O5P/c1-19-25(8-5-15-33-19)34-26(35)22-10-12-24-21(16-22)9-11-23-18-28(29(30,31)32,39-40(36,37)38)14-13-27(23,24)17-20-6-3-2-4-7-20/h2-8,10,12,15-16,23H,9,11,13-14,17-18H2,1H3,(H,34,35)(H2,36,37,38)/t23-,27+,28-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H30F3N2O5P
Molecular Weight 574.54
AlogP 6.28
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 108.75
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 40.0

Pharmacology

Action Mechanism of Action Reference
MODULATOR Glucocorticoid receptor modulator
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Secreted protein
- 60 - - -
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
- 42-79 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Arthritis, Rheumatoid 2 D001172 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3137316
DrugBank DB12198
FDA SRS HPI19004QS
Guide to Pharmacology 9649
PubChem 24872952
SureChEMBL SCHEMBL1707427
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