Compound Detail
CHEMBL86888
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Basic Information
| ChEMBL ID | CHEMBL86888 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORQDMAFGWBEJCJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
4.40
ALogP
4
HBA
0
HBD
39.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 7000.0 | nM | 5.16 | Inhibitory potency against guinea pig ventricular phosphodiesterase 4 | 11128646 |
| Phosphodiesterase 3 | IC50 | = | 25000.0 | nM | 4.6 | Inhibitory potency against guinea pig ventricular phosphodiesterase 3 | 11128646 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11128646 | 10.1016/s0960-894x(00)00548-5 | Phosphodiesterase 4 | 2 |
| 25435150 | 10.1016/j.bmcl.2014.11.011 | Muscarinic acetylcholine receptor M1 | 2 |
| 11128646 | 10.1016/s0960-894x(00)00548-5 | Phosphodiesterase 3 | 1 |
Data from ChEMBL 36 via Core Engine