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(R)-9s | Antagonist of ADRA1D
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

Targets Biochemical/Biophysical Potency Cellular Potency
ADRA1D
  • Ki:1.9 nM
  • IC30:15 nM
Antagonist
10 nM - 1 uM

Selectivity

In Vitro Selectivity Assessment
Potency Assay Off-Target:
Binding to ADRA1A > 1700 fold, binding to ADRA1B > 750 fold
Selectivity Assessment Description:
unknown selectivity outside target family

Potency
Cellular
In Vitro

ADRA1D

Mode of Action: Antagonist

Structure-Activity-Relationship data available? No

DOI Reference: 10.1021/acs.jmedchem.5b01528

In Vivo Validations

Rat
Dose: 1 mg/kg
Route of delivery: Oral, Intravenous
Plasma half life: 4.14 h
Organ of interest (O): Bladder

DOI Reference: 10.1021/acs.jmedchem.5b01528

Negative Control Compounds

(S)-9s

Chemical Information

Molecular Formula C15H13ClN4O
SMILEs C[C@H](c1cccc(C#N)c1)n1cc(Cl)cc(C(N)=O)c1=N
InChI InChI=1S/C15H13ClN4O/c1-9(11-4-2-3-10(5-11)7-17)20-8-12(16)6-13(14(20)18)15(19)21/h2-6,8-9,18H,1H3,(H2,19,21)/t9-/m1/s1
Molecular weight 300.08 Da
AlogP 2.2008499999999995
HBond acceptors 5
HBond donors 3
Atoms 34

References

Publications

Cross References

SGC additional analysis

Vendors

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Expert Reviews

by SERP
(on 18 Oct 2020 )
Cellular Use Rating
In Model Organisms
( The reviewer did not leave any comments )
by SERP
(on 18 Oct 2020 )
Cellular Use Rating
In Model Organisms
High quality probe with full supporting data and less active (distomer) negative control analogue. Whilst full selectivity data are still being generated, initial selectivity across GPCR and kinase...
by SERP
(on 27 Oct 2020 )
Cellular Use Rating
In Model Organisms
( The reviewer did not leave any 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