Compound Detail
CHEMBL5421663
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CCC(C)N1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(C(=O)N4CCC(N5CCN(C)CC5)CC4)cc3OC)nc21
Basic Information
| ChEMBL ID | CHEMBL5421663 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACWOMSOYIIVIRV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
612.8
MW (Da)
4.61
ALogP
9
HBA
1
HBD
97.4
PSA (Ų)
0.41
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 7 CHEMBL5332 | IC50 | 7.06 | 7.06 | 88.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 7 | IC50 | = | 88.0 | nM | 7.06 | Inhibition of ERK5 (unknown origin) | 37002872 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37002872 | 10.1021/acs.jmedchem.3c00072 | Mitogen-activated protein kinase 7 | 1 |
| 37002872 | 10.1021/acs.jmedchem.3c00072 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine