Compound Detail
CHEMBL3911962
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Basic Information
| ChEMBL ID | CHEMBL3911962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTKOCFGCADABCN-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
479.6
MW (Da)
6.68
ALogP
3
HBA
1
HBD
66.8
PSA (Ų)
0.29
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysophosphatidic acid receptor 1 CHEMBL3819 | IC50 | 7.96 | 7.76 | 11.0 | 3 |
| Lysophosphatidic acid receptor 5 CHEMBL5700 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysophosphatidic acid receptor 5 | IC50 | = | 11.0 | nM | 7.96 | Receptor Assay: Engagement of the LPA5 receptor by its ligand, oleoyl-L-α-lysop... | - |
| Lysophosphatidic acid receptor 1 | IC50 | = | 11.0 | nM | 7.96 | In Vitro LPA1 Receptor Assay: Engagement of the LPA1 receptor by its ligand, ole... | - |
| Lysophosphatidic acid receptor 1 | IC50 | = | 22.0 | nM | 7.66 | Receptor Assay: Engagement of the LPA1 receptor by its ligand, oleoyl-L-α-lysop... | - |
| Lysophosphatidic acid receptor 1 | IC50 | = | 22.0 | nM | 7.66 | In Vitro LPA1 Receptor Assay: Engagement of the LPA1 receptor by its ligand, ole... | - |
Data from ChEMBL 36 via Core Engine