Compound Detail
CHEMBL96039
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Basic Information
| ChEMBL ID | CHEMBL96039 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKYCKCRBBBMXMF-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
510.6
MW (Da)
4.02
ALogP
9
HBA
2
HBD
112.4
PSA (Ų)
0.29
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| Phosphodiesterase 4 CHEMBL2094267 | IC50 | 6.84 | 6.84 | 145.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL3382 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 6.51 | 6.51 | 310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 130.0 | nM | 6.89 | Evaluated for its ability to inhibit PDE4D. | 9873643 |
| Phosphodiesterase 4 | IC50 | = | 145.0 | nM | 6.84 | Evaluated for the inhibition of [3H]rolipram binding to membrane-bound PDE4. | 9873643 |
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 200.0 | nM | 6.7 | Evaluated for its ability to inhibit PDE4B. | 9873643 |
| 3',5'-cyclic-AMP phosphodiesterase 4A | IC50 | = | 250.0 | nM | 6.6 | Evaluated for its ability to inhibit PDE4A. | 9873643 |
| Phosphodiesterase 3 | IC50 | = | 310.0 | nM | 6.51 | Evaluated for its ability to inhibit PDE3. | 9873643 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873643 | 10.1016/s0960-894x(98)00508-3 | Phosphodiesterase 3 | 1 |
| 9873643 | 10.1016/s0960-894x(98)00508-3 | 3',5'-cyclic-AMP phosphodiesterase 4A | 1 |
| 9873643 | 10.1016/s0960-894x(98)00508-3 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 9873643 | 10.1016/s0960-894x(98)00508-3 | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
| 9873643 | 10.1016/s0960-894x(98)00508-3 | Phosphodiesterase 4 | 1 |
Data from ChEMBL 36 via Core Engine