Compound Detail
CHEMBL246032
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Basic Information
| ChEMBL ID | CHEMBL246032 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYXQSMNQBJSTTJ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
2.94
ALogP
5
HBA
2
HBD
83.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phospholipase D1 CHEMBL2536 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Phospholipase D2 CHEMBL2734 | IC50 | 7.38 | 6.8 | 42.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phospholipase D1 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of human PLD1 in Calu1 cells | 19268584 |
| Phospholipase D2 | IC50 | = | 42.0 | nM | 7.38 | Inhibition of GFP-labelled human PLD2 HEK293 cells | 19268584 |
| Phospholipase D2 | IC50 | = | 600.0 | nM | 6.22 | Inhibition of PLD2 | 17317170 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17317170 | 10.1016/j.bmcl.2007.01.059 | Phospholipase D2 | 1 |
| 19268584 | 10.1016/j.bmcl.2009.02.057 | Unchecked | 1 |
| 19268584 | 10.1016/j.bmcl.2009.02.057 | Phospholipase D1 | 1 |
| 19268584 | 10.1016/j.bmcl.2009.02.057 | Phospholipase D2 | 1 |
Data from ChEMBL 36 via Core Engine