Compound Detail
CHEMBL5570546
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5570546 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORJBTOMBSAJTJW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
11
PK Parameters
12
Publications
0
Known Names
Molecular Properties
283.7
MW (Da)
2.35
ALogP
5
HBA
1
HBD
77.2
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 7.43 | 7.43 | 37.4 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 142103.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 143404.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 668555.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 828352.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 0.2108 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 23.18 | ug.mL-1 | Rattus norvegicus |
| Cmax | 43.34 | ug.mL-1 | Rattus norvegicus |
| F | 94.1 | % | Rattus norvegicus |
| T1/2 | 3.65 | hr | Rattus norvegicus |
| T1/2 | 9.3 | hr | Rattus norvegicus |
| Tmax | 4.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 31.0 | nM | 7.51 | Inhibition of PDE4B1 (unknown origin) using FAM-cyclic-3',5'-AMP as substrate in... | 38156615 |
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 37.4 | nM | 7.43 | Inhibition of PDE4D7 (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 | Mus musculus | 24 |
| 38156615 | 10.1021/acs.jmedchem.3c02087 | ADMET | 21 |
| 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 | SH-SY5Y | 2 |
| 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 | 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 |
Data from ChEMBL 36 via Core Engine