Compound Detail
CHEMBL5590959
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Basic Information
| ChEMBL ID | CHEMBL5590959 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OGRAUAMWPNHZPU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
269.7
MW (Da)
1.96
ALogP
5
HBA
1
HBD
77.2
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 7.59 | 7.59 | 25.6 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 7.45 | 7.45 | 35.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 25.6 | nM | 7.59 | Inhibition of PDE4D7 (unknown origin) using FAM-cyclic-3',5'-AMP as substrate in... | 38156615 |
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 35.2 | nM | 7.45 | Inhibition of PDE4B1 (unknown origin) using FAM-cyclic-3',5'-AMP as substrate in... | 38156615 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38156615 | 10.1021/acs.jmedchem.3c02087 | Unchecked | 8 |
| 38156615 | 10.1021/acs.jmedchem.3c02087 | 3',5'-cyclic-AMP phosphodiesterase 4D | 3 |
| 38156615 | 10.1021/acs.jmedchem.3c02087 | No relevant target | 2 |
| 38156615 | 10.1021/acs.jmedchem.3c02087 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 38156615 | 10.1021/acs.jmedchem.3c02087 | SH-SY5Y | 1 |
| 38156615 | 10.1021/acs.jmedchem.3c02087 | HT-22 | 1 |
| 38156615 | 10.1021/acs.jmedchem.3c02087 | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B | 1 |
| 38156615 | 10.1021/acs.jmedchem.3c02087 | High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | 1 |
| 38156615 | 10.1021/acs.jmedchem.3c02087 | High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A | 1 |
| 38156615 | 10.1021/acs.jmedchem.3c02087 | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | 1 |
| 38156615 | 10.1021/acs.jmedchem.3c02087 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine