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CP-96345 | CP-96345 : Antagonist of TACR1
RATINGS:
Cellular Use: (3 reviews)

In Model Organisms: (0 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
TACR1
  • IC50:0.2 nM
  • Ki:0.4 nM
  • Ki:4.0 nM
Antagonist
100 nM

Selectivity

In Cell Selectivity Assessment
Potency Assay Off-Target:
1- Inhibition of substance P-induced contraction of rabbit vena cava (RVC) tissue - NK-1 (RVC) pA 9. ...
In Vitro Selectivity Assessment
Potency Assay Off-Target:
Ki > 10,000 nM
Selectivity Assessment Description:
Radioligand Binding Affinity of NK Antagonists in Membrane Preparations from HEK293 Cells Transientl ...

Potency
Cellular
In Vitro

TACR1

Mode of Action: Antagonist

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1021/jm2017072

Negative Control Compounds

(2R-3R)-enantiomer
Notes: (2R-3R)-enantiomer shows IC50 > 81000 ± 12000 nM

Orthogonal Probes def

Ro-4583298
OSANETANT

Chemical Information

Molecular Formula C28H32N2O
SMILEs COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1
InChI InChI=1S/C28H32N2O/c1-31-25-15-9-8-14-24(25)20-29-27-23-16-18-30(19-17-23)28(27)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-29H,16-20H2,1H3/t27-,28-/m0/s1
Molecular weight 412.25 Da
AlogP 5.079700000000005
HBond acceptors 3
HBond donors 1
Atoms 63

Vendors

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Expert Reviews

by SERP
(on 13 May 2023)
Cellular Use Rating
Very little selectivity assessment of this probe, other than voltage-gated L-type Ca channel activity (IC50 240 nM) which corresponds to its cardiovascular toxicity (Williams et al BMCL 1994). The probe...
by SERP
(on 18 May 2023)
Cellular Use Rating
(The reviewer did not leave any public comments)
by SERP
(on 2 Jun 2023)
Cellular Use Rating
The literature around this compound is somewhat conflicting. The compound has undesirable Ca channel activity (but it is the earliest clinical molecule in this space). I would recommend later NK1 antagonists...
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