Compound Detail
CHEMBL4646903
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Basic Information
| ChEMBL ID | CHEMBL4646903 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSCZUIZDBMJVDY-UXHICEINSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
308.4
MW (Da)
3.58
ALogP
3
HBA
1
HBD
28.4
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.66
IC50 1 meas. best 4.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| INS1(832/13) CHEMBL4483248 | EC50 | 6.66 | 6.66 | 220.0 | 1 |
| Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A CHEMBL3421 | IC50 | 4.61 | 4.61 | 24320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| INS1(832/13) | EC50 | = | 220.0 | nM | 6.66 | Cytoprotective activity in rat INS-1 832/13 cells assessed as inhibition of STZ-... | 31918073 |
| Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A | IC50 | = | 24320.0 | nM | 4.61 | Inhibition of PDE1A (unknown origin) | 31859156 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31918073 | 10.1016/j.ejmech.2019.111976 | Unchecked | 10 |
| 31918073 | 10.1016/j.ejmech.2019.111976 | INS1(832/13) | 9 |
| 31859156 | 10.1016/j.bmcl.2019.05.052 | Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A | 1 |
Data from ChEMBL 36 via Core Engine