Compound Detail
CHEMBL161465
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Basic Information
| ChEMBL ID | CHEMBL161465 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRVUGPYWYLBZNI-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
327.3
MW (Da)
4.87
ALogP
4
HBA
0
HBD
68.9
PSA (Ų)
0.40
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL3382 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4C CHEMBL291 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Phosphodiesterase 4 CHEMBL2094267 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 2.0 | nM | 8.7 | Inhibitory activity against Phosphodiesterase 4D (PDE4D) from human source expre... | 10691693 |
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 110.0 | nM | 6.96 | Inhibitory activity against Phosphodiesterase 4B (PDE4B) from rat source express... | 10691693 |
| 3',5'-cyclic-AMP phosphodiesterase 4A | IC50 | = | 350.0 | nM | 6.46 | Inhibitory activity against Phosphodiesterase 4A (PDE4A) from human source expre... | 10691693 |
| 3',5'-cyclic-AMP phosphodiesterase 4C | IC50 | = | 2000.0 | nM | 5.7 | Inhibitory activity against Phosphodiesterase 4C (PDE4C) from human source expre... | 10691693 |
| Phosphodiesterase 4 | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of [3H]rolipram binding to rat brain membranes | 10691693 |
| Homo sapiens | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of fMLP-induced oxidative burst in human eosinophils | 10691693 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10691693 | 10.1021/jm991094u | Phosphodiesterase 4 | 2 |
| 10691693 | 10.1021/jm991094u | Rattus norvegicus | 2 |
| 10691693 | 10.1021/jm991094u | 3',5'-cyclic-AMP phosphodiesterase 4A | 1 |
| 10691693 | 10.1021/jm991094u | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 10691693 | 10.1021/jm991094u | 3',5'-cyclic-AMP phosphodiesterase 4C | 1 |
| 10691693 | 10.1021/jm991094u | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
| 10691693 | 10.1021/jm991094u | Homo sapiens | 1 |
| 10691693 | 10.1021/jm991094u | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine