DAGROCORAT

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: OPM23UN90U

Structure
InChI Key QJJBNCHSWFGXML-KEKPKEOLSA-N
Smile Cc1ncccc1NC(=O)c1ccc2c(c1)CC[C@@H]1C[C@@](O)(C(F)(F)F)CC[C@@]21Cc1ccccc1
InChI
InChI=1S/C29H29F3N2O2/c1-19-25(8-5-15-33-19)34-26(35)22-10-12-24-21(16-22)9-11-23-18-28(36,29(30,31)32)14-13-27(23,24)17-20-6-3-2-4-7-20/h2-8,10,12,15-16,23,36H,9,11,13-14,17-18H2,1H3,(H,34,35)/t23-,27+,28-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H29F3N2O2
Molecular Weight 494.56
AlogP 6.16
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 62.22
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 36.0

Pharmacology

Action Mechanism of Action Reference
MODULATOR Glucocorticoid receptor modulator Wikipedia Other
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
5 1-35 - - 18

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3137304
DrugBank DB14676
EPA CompTox DTXSID60146493
FDA SRS OPM23UN90U
Guide to Pharmacology 9650
PubChem 24873449
SureChEMBL SCHEMBL1707468
ZINC ZINC000103297733
CONTENTS