Compound Detail
CHEMBL4113471
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Basic Information
| ChEMBL ID | CHEMBL4113471 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FZJMLWNUSUKYPU-BYHBIXDJSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
388.4
MW (Da)
2.64
ALogP
6
HBA
2
HBD
107.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 14 CHEMBL5888 | Ki | 9.52 | 9.31 | 0.3 | 2 |
| Serine/threonine-protein kinase D1 CHEMBL3863 | Ki | 9.05 | 9.05 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 14 | Ki | = | 0.3 | nM | 9.52 | Inhibition Assay: The ability of the nuclear factor-kappa B (NF-kB)-inducing kin... | - |
| Mitogen-activated protein kinase kinase kinase 14 | Ki | = | 0.8 | nM | 9.1 | Inhibition of NIK (unknown origin) using ATP as substrate by transcreener ADP as... | 31531194 |
| Serine/threonine-protein kinase D1 | Ki | = | 0.9 | nM | 9.05 | Inhibition of full length GST-tagged human PRKD1 expressed in Baculovirus expres... | 31531194 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31531194 | 10.1021/acsmedchemlett.8b00658 | Serine/threonine-protein kinase D1 | 1 |
| 31531194 | 10.1021/acsmedchemlett.8b00658 | Mitogen-activated protein kinase kinase kinase 14 | 1 |
| 31531194 | 10.1021/acsmedchemlett.8b00658 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine