Structure

InChI Key LUMKNAVTFCDUIE-VHXPQNKSSA-N
Smile OCCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1
InChI
InChI=1S/C24H23ClO2/c25-16-15-23(19-7-3-1-4-8-19)24(20-9-5-2-6-10-20)21-11-13-22(14-12-21)27-18-17-26/h1-14,26H,15-18H2/b24-23-

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H23ClO2
Molecular Weight 378.9
AlogP 5.65
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 29.46
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
MODULATOR Estrogen receptor modulator DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Paget Disease, Extramammary 3 D010145 ClinicalTrials

Related Entries

MCS

Scaffolds

Side Effects from Label

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
19.12
Reproductive system and breast disorders
13.78
Injury, poisoning and procedural complications
13.4
Vascular disorders
8.77
Skin and subcutaneous tissue disorders
7.9
Nervous system disorders
7.79
Musculoskeletal and connective tissue disorders
5.28
Gastrointestinal disorders
5.19
Psychiatric disorders
4.64
Cardiac disorders
2.33

Cross References

Resources Reference
CAS NUMBER 128607-22-7
ChEBI 73275
ChEMBL CHEMBL2105395
DrugBank DB04938
DrugCentral 4749
FDA SRS B0P231ILBK
Guide to Pharmacology 7349
PubChem 3036505
SureChEMBL SCHEMBL948118
ZINC ZINC000001550766