AZ137 |
AZ137 : Inhibitor of HIPK4
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| HIPK4 |
|
|
up to 1 uM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
DSF selectivity panel of 101 proteins at a compound concentration of 1 μM: S(3K) < 0.16
In Cell Selectivity Assessment
Potency Assay Off-Target:
NanoBRET panel of 192 kinases.
Selectivity Assessment Description:
HIPK4 was the only kinase that showed >50% tracer displacement in the 192 NanoBRET kinase selectivit ...
In Vitro Selectivity Assessment
Potency Assay Off-Target:
Selectivity of AZ137 (28e) was assessed at a compound concentration of 100 nM using the Eurofins sca ...
Selectivity Assessment Description:
YSK4 (MAP3K19) and HIPK4 were the only substantial hits with PoC values of 2.4% and 7.3%, respective ...
Potency Cellular
In Vitro
HIPK4
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/acs.jmedchem.6c01320
Negative Control Compounds
NDR44
Notes: NDR44 (cpd 31) displayed negligible HIPK4 activity in both the in vitro activity assay and binding in the cellular NanoBRET assay. It exhibited excellent kinome-wide selectivity within DSF panel, with no kinase showing temperature shifts larger than 5 K.
SMILES:
ClC1=CC=C2C(NC3=C(C#N)C=NC4=CC([H])=C(OCCCCCO2)C=C43)=C1
Chemical Information
| Molecular Formula | C22H21N3O5 |
| SMILEs | COc1cc2ncc(C#N)c3c2cc1OCCOCCOc1c(cccc1OC)N3 |
| InChI | InChI=1S/C22H21N3O5/c1-26-18-5-3-4-16-22(18)30-9-7-28-6-8-29-20-10-15-17(11-19(20)27-2)24-13-14(12-23)21(15)25-16/h3-5,10-11,13,25H,6-9H2,1-2H3 |
| Molecular weight | 407.15 Da |
| AlogP | 3.6550800000000017 |
| HBond acceptors | 8 |
| HBond donors | 1 |
| Atoms | 51 |