Structure

InChI Key GKIRPKYJQBWNGO-OCEACIFDSA-N
Smile CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1
InChI
InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/b26-25+

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H28ClNO
Molecular Weight 405.97
AlogP 6.56
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 9.0
Polar Surface Area 12.47
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
MODULATOR Estrogen receptor alpha modulator PubMed PubMed EMA Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Isomerase
- - - 1 -
Membrane receptor
- - - 8 -
Unclassified protein
- 3700 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Obesity 2 D009765 ClinicalTrials
Hypogonadism 2 D007006 ClinicalTrials

Related Entries

MCS

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 15690-57-0
ChEMBL CHEMBL954
DrugBank DB06735
FDA SRS R6D2UI4FLS
Guide to Pharmacology 7619
PDB 53Q
PubChem 1548953
SureChEMBL SCHEMBL34893
ZINC ZINC000001530601