Compound Detail
CHEMBL4876937
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Basic Information
| ChEMBL ID | CHEMBL4876937 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKGNEDMIYWJYDW-ZETCQYMHSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
370.2
MW (Da)
3.87
ALogP
4
HBA
1
HBD
59.9
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 10.0 | 10.0 | 0.1 | 1 |
| IGR-37 cell line CHEMBL613985 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
| SK-MEL3 CHEMBL614920 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B CHEMBL290 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A CHEMBL241 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 0.1 | nM | 10.0 | Antiproliferative activity against human HeLa cells assessed as cell growth inhi... | 34267873 |
| SK-MEL3 | IC50 | = | 0.3 | nM | 9.52 | Antiproliferative activity against human SK-MEL3 cells assessed as cell growth i... | 34267873 |
| IGR-37 cell line | IC50 | = | 0.3 | nM | 9.52 | Antiproliferative activity against human IGR37 cells assessed as cell growth inh... | 34267873 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B | IC50 | = | 5.0 | nM | 8.3 | Inhibition of human full length PDE3B expressed in Sf9 cells measured after 60 m... | 34267873 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | IC50 | = | 7.0 | nM | 8.15 | Inhibition of human full length PDE3A expressed in Sf9 cells measured after 60 m... | 34267873 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34267873 | 10.1021/acsmedchemlett.1c00317 | HeLa | 1 |
| 34267873 | 10.1021/acsmedchemlett.1c00317 | SK-MEL3 | 1 |
| 34267873 | 10.1021/acsmedchemlett.1c00317 | IGR-37 cell line | 1 |
| 34267873 | 10.1021/acsmedchemlett.1c00317 | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | 1 |
| 34267873 | 10.1021/acsmedchemlett.1c00317 | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B | 1 |
Data from ChEMBL 36 via Core Engine