Compound Detail
CHEMBL5268644
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Basic Information
| ChEMBL ID | CHEMBL5268644 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNTJTCXFIXNXDV-VIFPVBQESA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
352.3
MW (Da)
4.34
ALogP
3
HBA
1
HBD
50.7
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.3
EC50 1 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | EC50 | 8.89 | 8.89 | 1.3 | 1 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B CHEMBL290 | IC50 | 7.3 | 7.3 | 50.0 | 2 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A CHEMBL241 | IC50 | 7.06 | 7.06 | 87.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | EC50 | = | 1.3 | nM | 8.89 | Cytotoxicity against human HeLa cells assessed as reduction in cell viability af... | 37077378 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B | IC50 | = | 50.0 | nM | 7.3 | Affinity On-target Cellular interaction: (Inhibition of [3H]cAMP cleavage, scint... | - |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B | IC50 | = | 50.0 | nM | 7.3 | PDE3B Enzyme Inhibition: The commercially available 3H-cAMP Scintillation Proxim... | - |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | IC50 | = | 87.0 | nM | 7.06 | Affinity On-target Cellular interaction: (Inhibition of [3H]cAMP cleavage, scint... | - |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | IC50 | = | 87.0 | nM | 7.06 | PDE3A Enzyme Inhibition: The commercially available 3H-cAMP Scintillation Proxim... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37077378 | 10.1021/acsmedchemlett.3c00092 | HeLa | 1 |
| - | 10.6019/CHEMBL5723379 | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | 1 |
| - | 10.6019/CHEMBL5723379 | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B | 1 |
| - | 10.6019/CHEMBL5724796 | Casein kinase I isoform delta | 1 |
| - | 10.6019/CHEMBL5724796 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL5724796 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5724796 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5724796 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5724796 | Fibroblast growth factor receptor 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Peregrin | 1 |
| - | 10.6019/CHEMBL5724796 | Transcription intermediary factor 1-alpha | 1 |
| - | 10.6019/CHEMBL5724796 | Bromodomain-containing protein 4 | 1 |
Data from ChEMBL 36 via Core Engine