Compound Detail
CHEMBL5441124
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O=C(c1ccc(CNc2n[nH]c3ccccc23)cc1)N1CCN(C(=O)c2ccccc2OC(F)(F)F)CC1
Basic Information
| ChEMBL ID | CHEMBL5441124 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMQPNHQJKKSXPI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
523.5
MW (Da)
4.67
ALogP
5
HBA
2
HBD
90.6
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 6.41 | 6.41 | 393.5 | 1 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 5.08 | 5.08 | 8275.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 | IC50 | = | 393.5 | nM | 6.41 | Inhibition of JNK3 (unknown origin) using ULight-4E-BP1 peptide as substrate inc... | 36649216 |
| Mitogen-activated protein kinase 8 | IC50 | = | 8275.0 | nM | 5.08 | Inhibition of JNK1 (unknown origin) using ULight-4E-BP1 peptide as substrate inc... | 36649216 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36649216 | 10.1021/acs.jmedchem.2c01410 | Mitogen-activated protein kinase 8 | 1 |
| 36649216 | 10.1021/acs.jmedchem.2c01410 | Mitogen-activated protein kinase 10 | 1 |
Data from ChEMBL 36 via Core Engine