Compound Detail
CHEMBL3734974
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Basic Information
| ChEMBL ID | CHEMBL3734974 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMKKSNLKPITLIM-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
403.2
MW (Da)
4.66
ALogP
4
HBA
2
HBD
66.5
PSA (Ų)
0.45
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.82
IC50 1 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 6.5 | 6.5 | 320.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 320.0 | nM | 6.5 | Inhibition of human PDE4D using 3H-cAMP as substrate after 15 mins by liquid sci... | 26473791 |
| NON-PROTEIN TARGET | EC50 | = | 1500.0 | nM | 5.82 | Antineuroinflammatory activity in mouse BV2 cells assessed as inhibition of LPS-... | 26473791 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26473791 | 10.1021/acs.jmedchem.5b01222 | No relevant target | 9 |
| 26473791 | 10.1021/acs.jmedchem.5b01222 | Amyloid-beta precursor protein | 4 |
| 26473791 | 10.1021/acs.jmedchem.5b01222 | Unchecked | 2 |
| 26473791 | 10.1021/acs.jmedchem.5b01222 | ADMET | 2 |
| 26473791 | 10.1021/acs.jmedchem.5b01222 | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
| 26473791 | 10.1021/acs.jmedchem.5b01222 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine