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CCT251236 | CCT251236 : pirin ligand of PIR
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
PIR
  • KD:44 nM
  • IC50:19 nM
pirin ligand
10-100 nM

Selectivity

In Vitro Selectivity Assessment
Potency Assay Off-Target:
There are no known proteins that are family members with pirin. Pirin is a member of the cupin super ...
Selectivity Assessment Description:
Kinomescan assay of 442 kinases for the chemical probes parent compound yielded 4 kinases that were ...
In Cell Selectivity Assessment
Potency Assay Off-Target:
GSK3beta and PDE6D were also identified in the proteomic assays but ruled out as targets in follow-u ...
Selectivity Assessment Description:
Not available

Potency
Cellular
In Vitro

PIR

Mode of Action: pirin ligand

Structure-Activity-Relationship data available? No

DOI Reference: 10.1021/acs.jmedchem.6b01055

In Vivo Validations

Mouse
Dose: 20 mg/kg
Route of delivery: Oral
Plasma half life: 5.4 h
Organ of interest (O): SK-OV-3 xenograft
Target engagement assay: Not available

DOI Reference: 10.1021/acs.jmedchem.6b01055

Negative Control Compounds

N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-5-carboxamido)-2-methylphenyl)-2-(2-(pyrrolidin-1-yl)ethoxy)quinoline-6-carboxamide

Chemical Information

Molecular Formula C32H32N4O5
SMILEs Cc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1NC(=O)c1ccc2nc(OCCN3CCCC3)ccc2c1
InChI InChI=1S/C32H32N4O5/c1-21-4-8-25(33-31(37)24-6-10-28-29(19-24)40-17-16-39-28)20-27(21)35-32(38)23-5-9-26-22(18-23)7-11-30(34-26)41-15-14-36-12-2-3-13-36/h4-11,18-20H,2-3,12-17H2,1H3,(H,33,37)(H,35,38)
Molecular weight 552.24 Da
AlogP 5.29362
HBond acceptors 9
HBond donors 2
Atoms 73

References

Publications

Cross References

canSARChEMBLBindingDB

Vendors

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Expert Reviews

by SERP
(on 26 Mar 2017 )
Cellular Use Rating
In Model Organisms
This is a useful probe for Pirin - useful to study Pirin function both in cells and in vivo. There is a correlation of molecule binding to Pirin and cellular activity. Active and inactive versions of...
by SERP
(on 12 Jun 2017 )
Cellular Use Rating
In Model Organisms
CCT251236 has been thoroughly investigated and characterized as a cellular probe for Pirin (target) and HSF (pathway) and is supported by a robust and transparent set of data. My only concern is for...
by SERP
(on 12 Mar 2021 )
Cellular Use Rating
In Model Organisms
While CCT251236 clearly shows potent binding (SPR) to human pirin, displays potent inhibition of Hsp72 induction in a cell-based assay (ELISA), and shows activity in an SK-OV-3 mouse xenograft study,...
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