Compound Detail
CHEMBL4749973
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Basic Information
| ChEMBL ID | CHEMBL4749973 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDELWNRTTCPMLW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
335.8
MW (Da)
4.09
ALogP
3
HBA
1
HBD
50.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase-interacting serine/threonine-protein kinase 1 CHEMBL4718 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
| MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 52.0 | mL.min-1.g-1 | Mus musculus |
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 | = | 37.0 | nM | 7.43 | Inhibition of recombinant human full-length N-terminal GST-fused MNK1 (1 to 424 ... | 33303237 |
| MAP kinase-interacting serine/threonine-protein kinase 2 | IC50 | = | 40.0 | nM | 7.4 | Inhibition of recombinant human full-length N-terminal GST-fused MNK2 (1 to 465 ... | 33303237 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33303237 | 10.1016/j.ejmech.2020.113057 | ADMET | 2 |
| 33303237 | 10.1016/j.ejmech.2020.113057 | MAP kinase-interacting serine/threonine-protein kinase 1 | 1 |
| 33303237 | 10.1016/j.ejmech.2020.113057 | MAP kinase-interacting serine/threonine-protein kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine