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Compound Detail

CHEMBL4297509

ELACESTRANT
💊 Approved Drug
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💊 Approved Drug
CCNCCc1ccc(CN(CC)c2cc(OC)ccc2[C@@H]2CCc3cc(O)ccc3C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4297509
Name ELACESTRANT
Phase Approved
Structure Type MOL
InChI Key SIFNOOUKXBRGGB-AREMUKBSSA-N
Therapeutic ✓ Yes

Known Names

Elacestrant ER-306323 RAD-1901 Rad1901
6
Targets
10
Activities
2
Assay Types
0
PK Parameters
17
Publications
4
Known Names
6
Indications
1
Mechanisms

Molecular Properties

458.6
MW (Da)
5.85
ALogP
4
HBA
2
HBD
44.7
PSA (Ų)
0.37
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2023
Availability Prescription
Chirality Single Enantiomer

Routes of Administration

Oral
USAN Stem -estr-; -estrant
USAN Year 2019

Extended Properties

Molecular Formula C30H38N2O2
MW 458.65
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.05

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Estrogen receptor alpha degrader DEGRADER Estrogen receptor ✓ ✓

Indications

Breast Neoplasms Breast Neoplasms Breast Neoplasms Neoplasms Carcinoma, Intraductal, Noninfiltrating Hot Flashes

ATC Classification

L02BA04
elacestrant
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ENDOCRINE THERAPY

Activity Summary

IC50 9 meas. best 8.38
EC50 1 meas. best 9.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 9.22 9.22 0.6 1
MCF7
CHEMBL387
 IC50 8.38 7.38 4.2 3
Estrogen receptor
CHEMBL206
 IC50 7.32 7.32 48.0 2
Zaire ebolavirus
CHEMBL4513181
 IC50 6.62 6.62 240.0 1
Estrogen receptor beta
CHEMBL242
 IC50 6.06 6.06 870.0 2
Marburgvirus
CHEMBL4296577
 IC50 5.89 5.89 1300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 0.6 nM 9.22 Downregulation of ER expression in human MCF7 cells incubated for 48 hrs by ELIS... 37163948
MCF7 IC50 = 4.2 nM 8.38 Antiproliferative activity against human MCF7 cells assessed as reduction in cel... 33138369
MCF7 IC50 = 4.2 nM 8.38 Antiproliferative activity against estradiol-stimulated human MCF7 cells incubat... 37163948
Estrogen receptor IC50 = 48.0 nM 7.32 Inhibition of ERalpha (unknown origin) incubated for 4 hrs by fluorescence polar... 37163948
Estrogen receptor IC50 = 48.0 nM 7.32 Inhibition of ERalpha (unknown origin) 38183778
Zaire ebolavirus IC50 = 240.0 nM 6.62 Antiviral activity against pseudotyped Ebola virus - Mayinga, Zaire infected in ... 32886512
Estrogen receptor beta IC50 = 870.0 nM 6.06 Inhibition of ERbeta (unknown origin) incubated for 4 hrs by fluorescence polari... 37163948
Estrogen receptor beta IC50 = 870.0 nM 6.06 Inhibition of ERbeta (unknown origin) 38183778
Marburgvirus IC50 = 1300.0 nM 5.89 Antiviral activity against pseudotyped Marburgvirus-Musoke infected in human A54... 32886512
MCF7 IC50 = 4200.0 nM 5.38 Antiproliferative activity against human MCF7 cells assessed as reduction in cel... 37019030

Literature References

PubMed DOI Target Context # Activities
37377342 10.1021/acs.jmedchem.3c00136 MCF7 4
30990042 10.1021/acs.jmedchem.8b01572 Estrogen receptor 3
30990042 10.1021/acs.jmedchem.8b01572 von Hippel-Lindau disease tumor suppressor/Cullin-2/Estrogen receptor alpha 3
2562852 10.1021/jm00121a022 Rattus norvegicus 3
30990042 10.1021/acs.jmedchem.8b01572 MCF7 2
32886512 10.1021/acs.jmedchem.0c01001 Unchecked 2
37163948 10.1016/j.ejmech.2023.115422 Unchecked 2
33138369 10.1021/acs.jmedchem.0c00913 MCF7 1
38183778 10.1016/j.ejmech.2024.116124 Estrogen receptor beta 1
38183778 10.1016/j.ejmech.2024.116124 Estrogen receptor 1
37163948 10.1016/j.ejmech.2023.115422 MCF7 1
37163948 10.1016/j.ejmech.2023.115422 Estrogen receptor beta 1
37163948 10.1016/j.ejmech.2023.115422 Estrogen receptor 1
37019030 10.1016/j.ejmech.2023.115324 MCF7 1
32886512 10.1021/acs.jmedchem.0c01001 Marburgvirus 1
32886512 10.1021/acs.jmedchem.0c01001 Zaire ebolavirus 1
31746603 10.1021/acs.jmedchem.9b01580 Estrogen receptor 1

Data from ChEMBL 36 via Core Engine