ENCLOMIPHENE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: Parent
UNII: R6D2UI4FLS

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
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 10000 - - -
Enzyme Hydrolase
- - - - 1.125
Enzyme Isomerase
- - - 1 -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- 1050 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- 2513 - - -
Enzyme Oxidoreductase
- 346 - - -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Neurokinin receptor
- 4525 - 1508 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- 1628 - 1272 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 1482 - 215 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- 1319 - 448 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 1272 - 666 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Nucleotide-like receptor (family A GPCR) Adenosine receptor
- 5350 - 3024 -
Membrane receptor
- 1272 - 8-12 -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group A Nuclear hormone receptor subfamily 3 group A member 1
- 4.564 - 1.304 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 638 - 339 -
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 DB00882
FDA SRS R6D2UI4FLS
Guide to Pharmacology 7619
PDB 53Q
PubChem 1548953
SureChEMBL SCHEMBL34893
ZINC ZINC000001530601
CONTENTS