Compound Detail
CHEMBL5555701
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Basic Information
| ChEMBL ID | CHEMBL5555701 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVWIBTWIQNUDAW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
414.3
MW (Da)
5.66
ALogP
2
HBA
2
HBD
62.0
PSA (Ų)
0.43
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phospholipase D2 CHEMBL2734 | IC50 | 7.82 | 7.82 | 15.2 | 1 |
| Phospholipase D1 CHEMBL2536 | IC50 | 6.49 | 6.49 | 325.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phospholipase D2 | IC50 | = | 15.15 | nM | 7.82 | Inhibition of PLD2 (unknown origin) | 38142509 |
| Phospholipase D1 | IC50 | = | 325.0 | nM | 6.49 | Inhibition of PLD1 (unknown origin) | 38142509 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38142509 | 10.1016/j.ejmech.2023.116040 | DLD-1 | 1 |
| 38142509 | 10.1016/j.ejmech.2023.116040 | Phospholipase D1 | 1 |
| 38142509 | 10.1016/j.ejmech.2023.116040 | Phospholipase D2 | 1 |
Data from ChEMBL 36 via Core Engine