Compound Detail
CHEMBL5267447
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5267447 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUJRLIIKYCIXHN-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
273.3
MW (Da)
1.38
ALogP
4
HBA
1
HBD
53.9
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.96
IC50 2 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SK-MEL3 CHEMBL614920 | EC50 | 7.96 | 7.96 | 11.0 | 1 |
| HeLa CHEMBL399 | EC50 | 7.44 | 7.44 | 36.0 | 1 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A CHEMBL241 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B CHEMBL290 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-MEL3 | EC50 | = | 11.0 | nM | 7.96 | Cytotoxicity against human SK-MEL3 cells assessed as cell growth inhibition upto... | 31749907 |
| HeLa | EC50 | = | 36.0 | nM | 7.44 | Cytotoxicity against human HeLa cells assessed as cell growth inhibition measure... | 31749907 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | IC50 | = | 120.0 | nM | 6.92 | Inhibition of human N-terminal His-GST-tagged recombinant PDE3A (669-end residue... | 31749907 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B | IC50 | = | 260.0 | nM | 6.58 | Inhibition of human recombinant PDE3B | 31749907 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31749907 | 10.1021/acsmedchemlett.9b00360 | ADMET | 6 |
| 31749907 | 10.1021/acsmedchemlett.9b00360 | Unchecked | 2 |
| 31749907 | 10.1021/acsmedchemlett.9b00360 | SK-MEL3 | 1 |
| 31749907 | 10.1021/acsmedchemlett.9b00360 | HCT-116 | 1 |
| 31749907 | 10.1021/acsmedchemlett.9b00360 | A498 | 1 |
| 31749907 | 10.1021/acsmedchemlett.9b00360 | HeLa | 1 |
| 31749907 | 10.1021/acsmedchemlett.9b00360 | IMR-90 | 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