Compound Detail
CHEMBL1213193
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Basic Information
| ChEMBL ID | CHEMBL1213193 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBYNNXAAHMFJJC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
498.8
MW (Da)
6.56
ALogP
4
HBA
2
HBD
70.1
PSA (Ų)
0.23
QED
1
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phospholipase D1 CHEMBL2536 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phospholipase D1 | IC50 | = | 3200.0 | nM | 5.5 | Inhibition of human PLD1 assessed as release of methyl-[3H]choline from choline-... | 19136975 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19136975 | 10.1038/nchembio.140 | Phospholipase D1 | 3 |
| 19136975 | 10.1038/nchembio.140 | Phospholipase D2 | 2 |
Data from ChEMBL 36 via Core Engine