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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

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