Compound Detail
CHEMBL3799935
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Basic Information
| ChEMBL ID | CHEMBL3799935 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLRWMPFUTCKUQH-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
286.3
MW (Da)
3.87
ALogP
3
HBA
2
HBD
67.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase-interacting serine/threonine-protein kinase 1 CHEMBL4718 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204 | IC50 | 6.14 | 6.14 | 720.0 | 1 |
| 3-phosphoinositide-dependent protein kinase 1 CHEMBL2534 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase-interacting serine/threonine-protein kinase 1 | IC50 | = | 120.0 | nM | 6.92 | Inhibition of ERK2-activated full length wild type MNK1a (unknown origin) using ... | 27002243 |
| Cyclin-dependent kinase 1 | IC50 | = | 160.0 | nM | 6.8 | Inhibition of CDK1 (unknown origin) | 27002243 |
| MAP kinase-interacting serine/threonine-protein kinase 2 | IC50 | = | 720.0 | nM | 6.14 | Inhibition of N-terminal 6His-tagged recombinant human full length wild type MNK... | 27002243 |
| 3-phosphoinositide-dependent protein kinase 1 | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate aft... | 27217002 |
| Cyclin-dependent kinase 2 | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of CDK2 (unknown origin) | 27002243 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27002243 | 10.1021/acs.jmedchem.5b01657 | No relevant target | 2 |
| 27002243 | 10.1021/acs.jmedchem.5b01657 | MAP kinase-interacting serine/threonine-protein kinase 1 | 1 |
| 27002243 | 10.1021/acs.jmedchem.5b01657 | MAP kinase-interacting serine/threonine-protein kinase 2 | 1 |
| 27002243 | 10.1021/acs.jmedchem.5b01657 | Cyclin-dependent kinase 1 | 1 |
| 27002243 | 10.1021/acs.jmedchem.5b01657 | Cyclin-dependent kinase 2 | 1 |
| 27217002 | 10.1016/j.bmcl.2016.05.005 | 3-phosphoinositide-dependent protein kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine