Compound Detail
CHEMBL101301
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Basic Information
| ChEMBL ID | CHEMBL101301 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HHUDRCZTUYRTSA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
1.51
ALogP
6
HBA
2
HBD
98.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 6.5 | 5.73 | 320.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 320.0 | nM | 6.5 | Inhibition of rolipram binding | 9873649 |
| Phosphodiesterase 4 | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of PDE4 | 9873649 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873649 | 10.1016/s0960-894x(98)00524-1 | Phosphodiesterase 4 | 3 |
Data from ChEMBL 36 via Core Engine