Compound Detail
CHEMBL3394123
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O=C(O)/C=C\Sc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccccc3)c2)n1CC1CC1
Basic Information
| ChEMBL ID | CHEMBL3394123 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGNBJCGHXCRROP-SQFISAMPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
486.6
MW (Da)
6.60
ALogP
6
HBA
2
HBD
80.0
PSA (Ų)
0.21
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 7.27 | 7.27 | 54.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.45 | 6.45 | 354.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 | IC50 | = | 54.0 | nM | 7.27 | Inhibition of JNK3 (unknown origin) assessed as phosphorylation of ATF-2 by ELIS... | 25475894 |
| Mitogen-activated protein kinase 14 | IC50 | = | 354.0 | nM | 6.45 | Inhibition of p38alpha (unknown origin) assessed as phosphorylation of ATF-2 by ... | 25475894 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25475894 | 10.1021/jm501557a | Mitogen-activated protein kinase 10 | 1 |
| 25475894 | 10.1021/jm501557a | Mitogen-activated protein kinase 14 | 1 |
| 25475894 | 10.1021/jm501557a | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine