ACOLBIFENE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 815LJ9X0D1

Structure
InChI Key DUYNJNWVGIWJRI-LJAQVGFWSA-N
Smile CC1=C(c2ccc(O)cc2)[C@H](c2ccc(OCCN3CCCCC3)cc2)Oc2cc(O)ccc21
InChI
InChI=1S/C29H31NO4/c1-20-26-14-11-24(32)19-27(26)34-29(28(20)21-5-9-23(31)10-6-21)22-7-12-25(13-8-22)33-18-17-30-15-3-2-4-16-30/h5-14,19,29,31-32H,2-4,15-18H2,1H3/t29-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H31NO4
Molecular Weight 457.57
AlogP 6.03
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 62.16
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 34.0

Pharmacology

Action Mechanism of Action Reference
MODULATOR Estrogen receptor modulator PubMed PubMed Wikipedia Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - - 3-4
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
- 0-1 - 0-0 -
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
- 0-1 - 0-0 -

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL68055
DrugBank DB16080
FDA SRS 815LJ9X0D1
PubChem 155435
SureChEMBL SCHEMBL406183
CONTENTS