Compound Detail
CHEMBL3580438
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Basic Information
| ChEMBL ID | CHEMBL3580438 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBJYNYMKFQGJCH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
443.6
MW (Da)
2.39
ALogP
5
HBA
2
HBD
77.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phospholipase D2 CHEMBL2734 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phospholipase D2 | IC50 | = | 360.0 | nM | 6.44 | Inhibition of PLD2 (unknown origin) | 30528979 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30528979 | 10.1016/j.bmcl.2018.10.033 | Unchecked | 1 |
| 30528979 | 10.1016/j.bmcl.2018.10.033 | Phospholipase D2 | 1 |
| 30528979 | 10.1016/j.bmcl.2018.10.033 | Phospholipase D1 | 1 |
Data from ChEMBL 36 via Core Engine