CHLOROTRIANISENE

Search structure
Trade Names:
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: UNKNOWN Prodrug
ATC: G03CA06
UNII: 6V5034L121

Structure
InChI Key BFPSDSIWYFKGBC-UHFFFAOYSA-N
Smile COc1ccc(C(Cl)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChI
InChI=1S/C23H21ClO3/c1-25-19-10-4-16(5-11-19)22(17-6-12-20(26-2)13-7-17)23(24)18-8-14-21(27-3)15-9-18/h4-15H,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H21ClO3
Molecular Weight 380.87
AlogP 5.87
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 27.69
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
MODULATOR Estrogen receptor beta modulator PubMed Wikipedia Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 91

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Hepatocellular 3 D006528 ClinicalTrials
Liver Neoplasms 2 D008113 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 569-57-3
ChEBI 3641
ChEMBL CHEMBL1200761
DrugBank DB00269
DrugCentral 610
EPA CompTox DTXSID1021299
FDA SRS 6V5034L121
Human Metabolome Database HMDB0014414
Guide to Pharmacology 7146
PharmGKB PA164768822
PubChem 11289
SureChEMBL SCHEMBL8225
ZINC ZINC000001530598
CONTENTS