Compound Detail
CHEMBL2070735
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Basic Information
| ChEMBL ID | CHEMBL2070735 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QGTJGTFOISKMAD-SNVBAGLBSA-N |
2
Targets
2
Activities
1
Assay Types
9
PK Parameters
13
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
0.47
ALogP
10
HBA
1
HBD
107.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B CHEMBL4408 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
| High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A CHEMBL4640 | IC50 | 8.72 | 8.72 | 1.9 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 8.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 14.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 23.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 3.5 | mL.min-1.kg-1 | Canis lupus familiaris |
| F | 63.0 | % | Rattus norvegicus |
| F | 100.0 | % | Canis lupus familiaris |
| Fu | 0.88 | - | Rattus norvegicus |
| Fu | 0.78 | - | Canis lupus familiaris |
| Fu | 0.46 | - | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B | IC50 | = | 1.3 | nM | 8.89 | Inhibition of PDE8B expressed in Sf9 insect cells | 22858141 |
| High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A | IC50 | = | 1.9 | nM | 8.72 | Inhibition of PDE8A | 22858141 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22858141 | 10.1016/j.bmcl.2012.06.079 | Canis familiaris | 4 |
| 22858141 | 10.1016/j.bmcl.2012.06.079 | No relevant target | 3 |
| 22858141 | 10.1016/j.bmcl.2012.06.079 | Plasma | 3 |
| 22858141 | 10.1016/j.bmcl.2012.06.079 | Unchecked | 3 |
| 22858141 | 10.1016/j.bmcl.2012.06.079 | Liver microsomes | 2 |
| 22858141 | 10.1016/j.bmcl.2012.06.079 | Rattus norvegicus | 2 |
| 22858141 | 10.1016/j.bmcl.2012.06.079 | High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B | 1 |
| 22858141 | 10.1016/j.bmcl.2012.06.079 | High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A | 1 |
| 22858141 | 10.1016/j.bmcl.2012.06.079 | Kappa-type opioid receptor | 1 |
| 22858141 | 10.1016/j.bmcl.2012.06.079 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 22858141 | 10.1016/j.bmcl.2012.06.079 | MDCK | 1 |
| 22858141 | 10.1016/j.bmcl.2012.06.079 | ADMET | 1 |
| 22858141 | 10.1016/j.bmcl.2012.06.079 | Salmonella typhimurium | 1 |
Data from ChEMBL 36 via Core Engine