Compound Detail
CHEMBL110304
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Basic Information
| ChEMBL ID | CHEMBL110304 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGPCTXLRRJTGBX-UHFFFAOYSA-N |
2
Targets
4
Activities
3
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
252.3
MW (Da)
0.79
ALogP
4
HBA
1
HBD
65.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.66
EC50 1 meas. best 6.35
Kd 1 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | EC50 | 6.35 | 6.35 | 450.0 | 1 |
| Cavia porcellus CHEMBL369 | Kd | 6.23 | 6.23 | 588.8 | 1 |
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | EC50 | = | 450.0 | nM | 6.35 | Tested in vitro for tracheal relaxation | 9379444 |
| Cavia porcellus | Kd | = | 588.84 | nM | 6.23 | Negative inotropic response to adenosine in guinea pig left atrium | 9379444 |
| Phosphodiesterase 4 | IC50 | = | 2200.0 | nM | 5.66 | Inhibitory activity against Phosphodiesterase 4 from heart. | 9379444 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9379444 | 10.1021/jm970089s | Cavia porcellus | 3 |
| 9379444 | 10.1021/jm970089s | Phosphodiesterase 1 | 1 |
| 9379444 | 10.1021/jm970089s | Phosphodiesterase 3 | 1 |
| 9379444 | 10.1021/jm970089s | Phosphodiesterase 4 | 1 |
Data from ChEMBL 36 via Core Engine