Compound Detail
CHEMBL3692489
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CNC(=O)c1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#C[C@@](C)(O)c3cc(C)on3)cc1-2
Basic Information
| ChEMBL ID | CHEMBL3692489 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GFVXWRXUSFUWQS-OWABHCPYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
463.5
MW (Da)
2.14
ALogP
7
HBA
3
HBD
136.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 14 CHEMBL5888 | Ki | 8.1 | 7.975 | 8.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 14 | Ki | = | 8.0 | nM | 8.1 | Inhibition Assay: The ability of the nuclear factor-kappa B (NF-kB)-inducing kin... | - |
| Mitogen-activated protein kinase kinase kinase 14 | Ki | = | 14.0 | nM | 7.85 | Inhibition of NIK (unknown origin) using ATP as substrate by transcreener ADP as... | 31531194 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31531194 | 10.1021/acsmedchemlett.8b00658 | Mitogen-activated protein kinase kinase kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine