Compound Detail
CHEMBL5284967
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CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccc(NC(=S)Nc4ccc5c(c4)C(=O)OC54c5ccc(O)cc5Oc5cc(O)ccc54)cc3)c2)[nH]1
Basic Information
| ChEMBL ID | CHEMBL5284967 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FAJOBNJTLWHURK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
780.9
MW (Da)
9.53
ALogP
10
HBA
6
HBD
153.7
PSA (Ų)
0.05
QED
3
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 7.32 | 7.32 | 48.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 26.0 | nM | 7.58 | Inhibition of p38alpha (unknown origin) | 36490325 |
| Mitogen-activated protein kinase 10 | IC50 | = | 48.0 | nM | 7.32 | Inhibition of JNK3 (unknown origin) | 36490325 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36490325 | 10.1021/acs.jmedchem.2c00799 | Mitogen-activated protein kinase 14 | 1 |
| 36490325 | 10.1021/acs.jmedchem.2c00799 | Mitogen-activated protein kinase 10 | 1 |
Data from ChEMBL 36 via Core Engine