Compound Detail
CHEMBL3797574
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Basic Information
| ChEMBL ID | CHEMBL3797574 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCSNHSCJJFGAOB-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
3.58
ALogP
4
HBA
2
HBD
87.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204 | IC50 | 7.47 | 7.47 | 34.0 | 1 |
| MAP kinase-interacting serine/threonine-protein kinase 1 CHEMBL4718 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 5.24 | 5.24 | 5700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase-interacting serine/threonine-protein kinase 2 | IC50 | = | 34.0 | nM | 7.47 | Inhibition of N-terminal 6His-tagged recombinant human full length wild type MNK... | 27002243 |
| MAP kinase-interacting serine/threonine-protein kinase 1 | IC50 | = | 36.0 | nM | 7.44 | Inhibition of ERK2-activated full length wild type MNK1a (unknown origin) using ... | 27002243 |
| Cyclin-dependent kinase 1 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of CDK1 (unknown origin) | 27002243 |
| Cyclin-dependent kinase 2 | IC50 | = | 5700.0 | nM | 5.24 | 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 |
Data from ChEMBL 36 via Core Engine