Compound Detail
CHEMBL3702341
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Basic Information
| ChEMBL ID | CHEMBL3702341 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTCFYBGLEUOJNE-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
463.6
MW (Da)
4.30
ALogP
7
HBA
2
HBD
79.4
PSA (Ų)
0.44
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204 | IC50 | 8.15 | 7.9167 | 7.0 | 3 |
| MAP kinase-interacting serine/threonine-protein kinase 1 CHEMBL4718 | IC50 | 7.64 | 7.64 | 23.0 | 2 |
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 | = | 7.0 | nM | 8.15 | Inhibition Assay: Inhibition of kinase activity of Mnk1 and Mnk2a was assessed w... | - |
| MAP kinase-interacting serine/threonine-protein kinase 2 | IC50 | = | 16.0 | nM | 7.8 | Inhibition of MNK2 (unknown origin) | 33892273 |
| MAP kinase-interacting serine/threonine-protein kinase 2 | IC50 | = | 16.0 | nM | 7.8 | Inhibition of MNK2 (unknown origin) | 37669595 |
| MAP kinase-interacting serine/threonine-protein kinase 1 | IC50 | = | 23.0 | nM | 7.64 | Inhibition of MNK1 (unknown origin) | 33892273 |
| MAP kinase-interacting serine/threonine-protein kinase 1 | IC50 | = | 23.0 | nM | 7.64 | Inhibition of MNK1 (unknown origin) | 37669595 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5724801 | Fibroblast | 320 |
| - | 10.6019/CHEMBL5724801 | U2OS | 320 |
| - | 10.6019/CHEMBL5724801 | HEK-293T | 320 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 8 |
| 30496989 | 10.1016/j.ejmech.2018.10.070 | Unchecked | 6 |
| 30496989 | 10.1016/j.ejmech.2018.10.070 | MAP kinase-interacting serine/threonine-protein kinase 2 | 5 |
| 30496989 | 10.1016/j.ejmech.2018.10.070 | MAP kinase-interacting serine/threonine-protein kinase 1 | 4 |
| 37669595 | 10.1016/j.ejmech.2023.115781 | MAP kinase-interacting serine/threonine-protein kinase 1 | 3 |
| - | 10.6019/CHEMBL5303304 | Fibroblast | 3 |
| 30496989 | 10.1016/j.ejmech.2018.10.070 | MAP kinase-interacting serine/threonine-protein kinase 1/2 | 2 |
| 33892273 | 10.1016/j.ejmech.2021.113420 | MAP kinase-interacting serine/threonine-protein kinase 2 | 1 |
| 37669595 | 10.1016/j.ejmech.2023.115781 | MAP kinase-interacting serine/threonine-protein kinase 2 | 1 |
| - | 10.6019/CHEMBL5303304 | U2OS | 1 |
| 33892273 | 10.1016/j.ejmech.2021.113420 | MAP kinase-interacting serine/threonine-protein kinase 1 | 1 |
| 30496989 | 10.1016/j.ejmech.2018.10.070 | 3T3-L1 | 1 |
| 30496989 | 10.1016/j.ejmech.2018.10.070 | MDA-MB-231 | 1 |
| 30496989 | 10.1016/j.ejmech.2018.10.070 | Mitogen-activated protein kinase 1 and 3 (ERK2 and ERK1) | 1 |
Data from ChEMBL 36 via Core Engine