Compound Detail
CHEMBL379367
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Basic Information
| ChEMBL ID | CHEMBL379367 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VATFNEMGBRWLHI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
264.4
MW (Da)
2.07
ALogP
3
HBA
2
HBD
72.2
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase PknG CHEMBL6070 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase PknG | IC50 | = | 900.0 | nM | 6.05 | Inhibition of full length Mycobacterium tuberculosis protein kinase G using His-... | 35737472 |
| MV4-11 | IC50 | = | 1200.0 | nM | 5.92 | Antiproliferative activity against human MV4-11 cells | 16580199 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of FLT3 | 16580199 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17616581 | 10.1073/pnas.0702842104 | J774 | 6 |
| 17616581 | 10.1073/pnas.0702842104 | Unchecked | 2 |
| 17616581 | 10.1073/pnas.0702842104 | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial | 1 |
| 35737472 | 10.1021/acs.jmedchem.1c02012 | Serine/threonine-protein kinase PknG | 1 |
| 17616581 | 10.1073/pnas.0702842104 | Serine/threonine-protein kinase PAK 4 | 1 |
| 17616581 | 10.1073/pnas.0702842104 | Serine/threonine-protein kinase PAK 1 | 1 |
| 17616581 | 10.1073/pnas.0702842104 | Dual specificity mitogen-activated protein kinase kinase 6 | 1 |
| 17616581 | 10.1073/pnas.0702842104 | Dual specificity mitogen-activated protein kinase kinase 1 | 1 |
| 17616581 | 10.1073/pnas.0702842104 | RAC-alpha serine/threonine-protein kinase | 1 |
| 17616581 | 10.1073/pnas.0702842104 | Rho-associated protein kinase 2 | 1 |
| 17616581 | 10.1073/pnas.0702842104 | Protein kinase C zeta type | 1 |
| 17616581 | 10.1073/pnas.0702842104 | Serine/threonine-protein kinase D1 | 1 |
| 17616581 | 10.1073/pnas.0702842104 | Protein kinase C alpha type | 1 |
| 16580199 | 10.1016/j.bmcl.2006.03.032 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 17616581 | 10.1073/pnas.0702842104 | Cyclin-dependent kinase 5 | 1 |
| 17616581 | 10.1073/pnas.0702842104 | Mitogen-activated protein kinase 14 | 1 |
| 17616581 | 10.1073/pnas.0702842104 | Mitogen-activated protein kinase 8 | 1 |
| 17616581 | 10.1073/pnas.0702842104 | Glycogen synthase kinase-3 beta | 1 |
| 17616581 | 10.1073/pnas.0702842104 | Cyclin-dependent kinase 2 | 1 |
| 17616581 | 10.1073/pnas.0702842104 | Serine/threonine-protein kinase PknG | 1 |
Data from ChEMBL 36 via Core Engine