Structure

InChI Key YTFHCXIPDIHOIA-DHZHZOJOSA-N
Smile 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

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Myositis Ossificans 3 D009221 ClinicalTrials
Dry Eye Syndromes 1 D015352 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 410528-02-8
ChEMBL CHEMBL2105648
DrugBank DB12320
FDA SRS 28K6I5M16G
Guide to Pharmacology 8276
PubChem 10295295
SureChEMBL SCHEMBL4658931
ZINC ZINC000038467831