Compound Detail
CHEMBL1915891
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Basic Information
| ChEMBL ID | CHEMBL1915891 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RMKFHXBPLKSLMZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
2
PK Parameters
14
Publications
0
Known Names
Molecular Properties
373.2
MW (Da)
4.88
ALogP
5
HBA
0
HBD
52.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A CHEMBL4409 | IC50 | 8.13 | 8.13 | 7.4 | 1 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A CHEMBL3012 | IC50 | 6.48 | 6.48 | 332.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.2 | hr | Homo sapiens |
| T1/2 | 0.1 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | IC50 | = | 7.4 | nM | 8.13 | Inhibition of N-terminal His-tagged human PDE10A expressed in Escherichia coli u... | 21988093 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 11.0 | nM | 7.96 | Inhibition of recombinant human PDE2A using [3H]cAMP after 1 hr by scintillation... | 21988093 |
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | IC50 | = | 332.0 | nM | 6.48 | Inhibition of recombinant human PDE7A using [3H]cAMP after 1 hr by scintillation... | 21988093 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21988093 | 10.1021/jm2009138 | Unchecked | 9 |
| 21988093 | 10.1021/jm2009138 | ADMET | 3 |
| 21988093 | 10.1021/jm2009138 | Salmonella typhimurium | 3 |
| 21988093 | 10.1021/jm2009138 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 1 |
| 21988093 | 10.1021/jm2009138 | Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B | 1 |
| 21988093 | 10.1021/jm2009138 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
| 21988093 | 10.1021/jm2009138 | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | 1 |
| 21988093 | 10.1021/jm2009138 | 3',5'-cyclic-AMP phosphodiesterase 4A | 1 |
| 21988093 | 10.1021/jm2009138 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 21988093 | 10.1021/jm2009138 | Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha | 1 |
| 21988093 | 10.1021/jm2009138 | High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | 1 |
| 21988093 | 10.1021/jm2009138 | High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A | 1 |
| 21988093 | 10.1021/jm2009138 | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | 1 |
| 21988093 | 10.1021/jm2009138 | Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A | 1 |
Data from ChEMBL 36 via Core Engine