Structure

InChI Key YTFHCXIPDIHOIA-DHZHZOJOSA-N
Smiles CC1(C)CCC(C)(C)c2cc(Cn3cccn3)c(/C=C/c3ccc(C(=O)O)cc3)cc21
InChI
InChI=1S/C27H30N2O2/c1-26(2)12-13-27(3,4)24-17-22(18-29-15-5-14-28-29)21(16-23(24)26)11-8-19-6-9-20(10-7-19)25(30)31/h5-11,14-17H,12-13,18H2,1-4H3,(H,30,31)/b11-8+

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H30N2O2
Molecular Weight 414.55
AlogP 6.15
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 55.12
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 31.0

Pharmacology

Mechanism of Action Action Reference
Retinoic acid receptor gamma agonist AGONIST PubMed PubMed PubMed Other

Target Conservation

Protein: Retinoic acid receptor gamma

Description: Retinoic acid receptor gamma

Organism : Homo sapiens

P13631 ENSG00000172819

Cross References

Resources Reference
ChEMBL CHEMBL2105648
DrugBank DB12320
FDA SRS 28K6I5M16G
Guide to Pharmacology 8276
PubChem 10295295
SureChEMBL SCHEMBL4658931
ZINC ZINC000038467831