PRINABEREL

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: A9C8MNF7CA

Structure
InChI Key MQIMZDXIAHJKQP-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
AGONIST Estrogen receptor beta agonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - -54.98--31.37
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -4.14--1.94
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
- 1216 - - -
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
- 5-5 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Endometriosis 2 D004715 ClinicalTrials
Crohn Disease 1 D003424 ClinicalTrials
Romano-Ward Syndrome 1 D029597 ClinicalTrials

Related Entries

Scaffolds

Cross References

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