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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

CANSAR335710
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

References

Publications

Cross References

canSARChEMBLBindingDBBindingDB

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 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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