Chemical Probes logo
AZ6102 | AZ6102 : NAD+ competitive inhibitor of TNKS, TNKS2
RATINGS:
Cellular Use: (3 reviews)

In Model Organisms: (2 reviews)
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
Download

Probe Summary

Targets Biochemical/Biophysical Potency Cellular Potency
TNKS
  • IC 50:3 nM
  • IC 50:100 nM
  • IC 50:0.005 uM
TNKS2
  • IC 50:1 nM
  • IC 50:0.6 nM
  • IC50:0.005 uM
NAD+ competitive
50-500 nM

Selectivity

In Vitro Selectivity Assessment

Potency: IC50 - PARP1 2 uM, PARP2 0.5 uM, PARP6 >5 uM

Potency Assay Off-Target:
SPA or BPS PARP assay kit. In in vitro ADP ribosylation assays, AZ-6102 was selective for TNKS1/2 ov ...
Selectivity Assessment Description:
SPA or BPS PARP assay kit. In in vitro ADP ribosylation assays, AZ-6102 was selective for TNKS1/2 ov ...

Potency
Cellular
In Vitro

TNKS

Mode of Action: NAD+ competitive

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1021/acs.jmedchem.6b00990

TNKS2

Mode of Action: NAD+ competitive

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1021/acs.jmedchem.6b00990

In Vivo Validations

Rat, Mouse
Dose: 25 mg/kg IV (mouse)
Route of delivery: Intravenous, Oral
Plasma half life: 5.7 hr (rat IV), 4.3 hr (mouse IV)
Systemic clearance: 11 mL/min•kg (rat IV), 24 mL/min•kg (mouse IV)

DOI Reference: 10.1021/acs.jmedchem.6b00990

Orthogonal Probes def

XAV939
JW55

Chemical Information

Molecular Formula C25H28N6O
SMILEs Cc1cc(N2C[C@H](C)N[C@H](C)C2)ncc1-c1ccc(-c2nc(=O)c3ccn(C)c3[nH]2)cc1
InChI InChI=1S/C25H28N6O/c1-15-11-22(31-13-16(2)27-17(3)14-31)26-12-21(15)18-5-7-19(8-6-18)23-28-24-20(25(32)29-23)9-10-30(24)4/h5-12,16-17,27H,13-14H2,1-4H3,(H,28,29,32)/t16-,17+
Molecular weight 428.23 Da
AlogP 3.4856200000000017
HBond acceptors 7
HBond donors 2
Atoms 60

References

Publications

Cross References

GDSC2

Vendors

Note: This is not an exhaustive list and does not indicate endorsement by the portal.

Expert Reviews

by SERP
(on 12 Aug 2016 )
Cellular Use Rating
AZ6102 shows good inhibition of TNK1/2 with selectivity against other related enzymes of the PARP family. Data about other potential off targets (e.g., other NAD+-dependent enzymes or protein kinases)...
by SERP
(on 20 Jan 2017 )
Cellular Use Rating
In Model Organisms
( The reviewer did not leave any comments )
by SERP
(on 11 Apr 2017 )
Cellular Use Rating
In Model Organisms
Although two independent papers report that this is a potent (low nM) TNKS2 inhibitor, they report significant discrepancies in TNKS1 inhibition (3 and 100 nM). The oral bioavailability is modest (F...
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