Compound Detail
CHEMBL5189796
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Basic Information
| ChEMBL ID | CHEMBL5189796 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGNHXYCLUMQSKR-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
12
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
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase-interacting serine/threonine-protein kinase 1 CHEMBL4718 | IC50 | 6.16 | 6.16 | 690.0 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 5.28 | 5.28 | 5270.0 | 1 |
| MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204 | IC50 | 5.03 | 5.03 | 9400.0 | 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 | = | 690.0 | nM | 6.16 | Inhibition of human recombinant full length GST-tagged MNK1 expressed in baculov... | 35417652 |
| Acetylcholinesterase | IC50 | = | 5270.0 | nM | 5.28 | Inhibition of human AChE using acetylthiocholine iodide as substrate measured af... | 37871406 |
| MAP kinase-interacting serine/threonine-protein kinase 2 | IC50 | = | 9400.0 | nM | 5.03 | Inhibition of human recombinant full length GST-tagged MNK2 expressed in insect ... | 35417652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35417652 | 10.1021/acs.jmedchem.1c01941 | MAP kinase-interacting serine/threonine-protein kinase 1 | 6 |
| 35417652 | 10.1021/acs.jmedchem.1c01941 | MDA-MB-231 | 6 |
| 35417652 | 10.1021/acs.jmedchem.1c01941 | MAP kinase-interacting serine/threonine-protein kinase 1/2 | 5 |
| 35417652 | 10.1021/acs.jmedchem.1c01941 | IMR-90 | 3 |
| 35417652 | 10.1021/acs.jmedchem.1c01941 | MAP kinase-interacting serine/threonine-protein kinase 2 | 2 |
| 35417652 | 10.1021/acs.jmedchem.1c01941 | MDA-MB-468 | 2 |
| 35417652 | 10.1021/acs.jmedchem.1c01941 | MCF7 | 2 |
| 37871406 | 10.1016/j.ejmech.2023.115880 | Acetylcholinesterase | 2 |
| 35417652 | 10.1021/acs.jmedchem.1c01941 | Eukaryotic translation initiation factor 4E | 1 |
| 35417652 | 10.1021/acs.jmedchem.1c01941 | MAP kinase p38 | 1 |
| 35417652 | 10.1021/acs.jmedchem.1c01941 | Heat shock protein beta-1 | 1 |
| 35417652 | 10.1021/acs.jmedchem.1c01941 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine