Compound Detail
CHEMBL5180503
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Basic Information
| ChEMBL ID | CHEMBL5180503 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZRXCXSQNKXCJNQ-BJUDXGSMSA-N |
| Parent Compound | CHEMBL5221352 |
| Active Moiety | CHEMBL5221352 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
362.8
MW (Da)
2.74
ALogP
6
HBA
2
HBD
94.0
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 7 CHEMBL2111411 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1.7 | nM | 8.77 | Inhibition of PDE7 (unknown origin) | 34905377 |
| Phosphodiesterase 7 | IC50 | = | 1.7 | nM | 8.77 | Inhibition of PDE7 (unknown origin) | 34042442 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34905377 | 10.1021/acs.jmedchem.1c01571 | Unchecked | 1 |
| 34042442 | 10.1021/acs.jmedchem.1c00115 | Phosphodiesterase 7 | 1 |
| 34042442 | 10.1021/acs.jmedchem.1c00115 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine