Compound Detail
CHEMBL404452
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Basic Information
| ChEMBL ID | CHEMBL404452 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDMCPPODOFBLOM-KRWDZBQOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
381.6
MW (Da)
3.93
ALogP
6
HBA
1
HBD
44.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysophosphatidic acid receptor 2 CHEMBL3724 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysophosphatidic acid receptor 2 | IC50 | = | 260.0 | nM | 6.58 | Antagonist activity at LPA2 expressed in RH7777 cells with Gi4-protein and aequo... | 18178086 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18178086 | 10.1016/j.bmcl.2007.12.024 | Lysophosphatidic acid receptor 2 | 1 |
| 18178086 | 10.1016/j.bmcl.2007.12.024 | Lysophosphatidic acid receptor 1 | 1 |
| 18178086 | 10.1016/j.bmcl.2007.12.024 | Lysophosphatidic acid receptor 3 | 1 |
Data from ChEMBL 36 via Core Engine