PRINABEREL

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Synonyms
Status
Molecule Category Free-form
UNII A9C8MNF7CA

Structure

InChI Key MQIMZDXIAHJKQP-UHFFFAOYSA-N
Smiles C=Cc1cc(O)cc2nc(-c3ccc(O)c(F)c3)oc12
InChI
InChI=1S/C15H10FNO3/c1-2-8-5-10(18)7-12-14(8)20-15(17-12)9-3-4-13(19)11(16)6-9/h2-7,18-19H,1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H10FNO3
Molecular Weight 271.25
AlogP 3.69
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 66.49
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 20.0

Pharmacology

Mechanism of Action Action Reference
Estrogen receptor beta agonist AGONIST Wikipedia PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
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
- 618-746 - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group A Nuclear hormone receptor subfamily 3 group A member 2
- 3.14-5 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 5 - - -
Mus musculus
- 3.7-746 - - -
Rattus norvegicus
- 3.14-618 - - -

Target Conservation

Protein: Estrogen receptor beta
Description: Estrogen receptor beta
Organism : Homo sapiens
Q92731 ENSG00000140009

Cross References

Resources Reference
ChEMBL CHEMBL450940
DrugBank DB06832
FDA SRS A9C8MNF7CA
Guide to Pharmacology 6700
PDB 041
PubChem 656954
SureChEMBL SCHEMBL1379424
ZINC ZINC000003817763
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