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AZD9496 | Antagonist of ESR1
RATINGS:
Cellular Use: (3 reviews)

In Model Organisms: (3 reviews)
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary

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Targets Biochemical/Biophysical Potency Cellular Potency
ESR1
  • IC50:0.8 nM
  • IC50:0.11 nM
  • IC50:0.28 nM
  • IC50:0.04 nM
Antagonist
< 10 nM

Selectivity

In Vitro Selectivity Assessment
Selectivity Assessment Description:
High selectivity of AZD9496 over other tested nuclear hormone receptors: androgen receptor (AR), ...
In Cell Selectivity Assessment
Selectivity Assessment Description:
No significant growth inhibition was seen in any ER− cell lines (EC50 &gt; 10 μmol/L) in contrast ...

Potency
Cellular
In Vitro

ESR1

Mode of Action: Antagonist

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1021/acs.jmedchem.5b00984

In Vivo Validations

Rat
Dose: 2.2 μM/kg IV, 4.5 μM/kg PO
Route of delivery: Intravenous, Oral
Systemic clearance: 1.0 mL/min/Kg
Bioavailability: 63%
Volume of Distribution at Steady-State: 0.43 L/Kg

DOI Reference: 10.1021/acs.jmedchem.5b00984

Mouse
Dose: 2.3 μM/kg IV, 5.6 μM/kg PO
Route of delivery: Intravenous, Oral
Systemic clearance: 43 mL/min/Kg
Bioavailability: 128%
Volume of Distribution at Steady-State: 2.2 L/Kg

DOI Reference: 10.1021/acs.jmedchem.5b00984

Dog
Dose: 2.5 μM/kg IV, 5 μM/kg PO
Route of delivery: Intravenous, Oral
Systemic clearance: 0.28 mL/min/Kg
Bioavailability: 79%
Volume of Distribution at Steady-State: 0.40 L/Kg

DOI Reference: 10.1021/acs.jmedchem.5b00984

Chemical Information

Molecular Formula C25H25F3N2O2
SMILEs C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(/C=C/C(=O)O)cc2F)N1CC(C)(C)F
InChI InChI=1S/C25H25F3N2O2/c1-14-10-17-16-6-4-5-7-20(16)29-23(17)24(30(14)13-25(2,3)28)22-18(26)11-15(12-19(22)27)8-9-21(31)32/h4-9,11-12,14,24,29H,10,13H2,1-3H3,(H,31,32)/b9-8+/t14-,24-/m1/s1
Molecular weight 442.19 Da
AlogP 5.6280000000000046
HBond acceptors 4
HBond donors 2
Atoms 57
PAINS * Yes

* This is an automated alert only, and may not necessarily indicate an issue with this probe. ( Learn more about PAINS )

Vendors

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Expert Reviews

by SERP
(on 7 Jul 2021)
Cellular Use Rating
In Model Organisms
(The reviewer did not leave any public comments)
by SERP
(on 27 Jul 2021)
Cellular Use Rating
In Model Organisms
The compound AZD9496 was the lead candidate for orally bioavailable selective estrogen receptor downregulator (SERD) with equivalent potency and preclinical pharmacology to the intramuscular SERD fulvestrant....
by SERP
(on 6 Sept 2021)
Cellular Use Rating
In Model Organisms
(The reviewer did not leave any public comments)
Note: The Chemical Probes Portal only endorses compounds as chemical probes for use as specific and selective modulators of the proposed target if they receive three or more (3-4) stars. Read more about our evaluation criteria