Compound Detail
CHEMBL4747276
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Basic Information
| ChEMBL ID | CHEMBL4747276 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCFIASDOZHNRKP-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
372.4
MW (Da)
2.98
ALogP
5
HBA
1
HBD
82.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 200.0 | nM | 6.7 | Inhibition of PDE4B (unknown origin) | 32255344 |
| Mitogen-activated protein kinase 14 | IC50 | = | 500.0 | nM | 6.3 | Inhibition of P38 alpha MAPK (unknown origin) | 32255344 |
| Mitogen-activated protein kinase 10 | IC50 | = | 700.0 | nM | 6.16 | Inhibition of JNK3 (unknown origin) | 32255344 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32255344 | 10.1021/acs.jmedchem.9b02170 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 32255344 | 10.1021/acs.jmedchem.9b02170 | Mitogen-activated protein kinase 14 | 1 |
| 32255344 | 10.1021/acs.jmedchem.9b02170 | Mitogen-activated protein kinase 10 | 1 |
Data from ChEMBL 36 via Core Engine