Compound Detail
CHEMBL5204789
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CC(=O)N1CCC(CNc2cc(-c3ccc(=O)n(Cc4cccc(Cl)c4)c3)cc3[nH]nc(N)c23)CC1
Basic Information
| ChEMBL ID | CHEMBL5204789 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVMZDBZVXUKZOT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
505.0
MW (Da)
4.35
ALogP
6
HBA
3
HBD
109.0
PSA (Ų)
0.36
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| MAP kinase-interacting serine/threonine-protein kinase 1 CHEMBL4718 | IC50 | 8.3 | 8.3 | 5.0 | 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 | = | 5.0 | nM | 8.3 | Inhibition of Mnk2 (unknown origin) | 34533957 |
| MAP kinase-interacting serine/threonine-protein kinase 1 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of Mnk1 (unknown origin) | 34533957 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34533957 | 10.1021/acs.jmedchem.1c00368 | MAP kinase-interacting serine/threonine-protein kinase 2 | 1 |
| 34533957 | 10.1021/acs.jmedchem.1c00368 | MAP kinase-interacting serine/threonine-protein kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine