Compound Detail
CHEMBL5283715
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Basic Information
| ChEMBL ID | CHEMBL5283715 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UVBGHYDBVXZIJJ-ZCFIWIBFSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
257.1
MW (Da)
2.85
ALogP
2
HBA
1
HBD
41.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.35
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | EC50 | 8.35 | 8.35 | 4.5 | 1 |
| SK-MEL3 CHEMBL614920 | EC50 | 8.25 | 8.25 | 5.6 | 1 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A CHEMBL241 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B CHEMBL290 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | EC50 | = | 4.5 | nM | 8.35 | Cytotoxicity against human HeLa cells assessed as cell growth inhibition measure... | 31749907 |
| SK-MEL3 | EC50 | = | 5.6 | nM | 8.25 | Cytotoxicity against human SK-MEL3 cells assessed as cell growth inhibition upto... | 31749907 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | IC50 | = | 8.0 | nM | 8.1 | Inhibition of human N-terminal His-GST-tagged recombinant PDE3A (669-end residue... | 31749907 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B | IC50 | = | 14.0 | nM | 7.85 | Inhibition of human recombinant PDE3B | 31749907 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31749907 | 10.1021/acsmedchemlett.9b00360 | Unchecked | 2 |
| 31749907 | 10.1021/acsmedchemlett.9b00360 | SK-MEL3 | 1 |
| 31749907 | 10.1021/acsmedchemlett.9b00360 | A498 | 1 |
| 31749907 | 10.1021/acsmedchemlett.9b00360 | HeLa | 1 |
| 31749907 | 10.1021/acsmedchemlett.9b00360 | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | 1 |
| 31749907 | 10.1021/acsmedchemlett.9b00360 | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B | 1 |
Data from ChEMBL 36 via Core Engine