Compound Detail
CHEMBL190328
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Basic Information
| ChEMBL ID | CHEMBL190328 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HSMUPNYJCMYKJH-KRWDZBQOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
423.5
MW (Da)
4.15
ALogP
4
HBA
4
HBD
133.2
PSA (Ų)
0.18
QED
0
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysophosphatidic acid receptor 3 CHEMBL3250 | EC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Lysophosphatidic acid receptor 1 CHEMBL3819 | EC50 | 5.73 | 5.73 | 1850.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysophosphatidic acid receptor 3 | EC50 | = | 1600.0 | nM | 5.8 | Inhibition of LPA-induced calcium transients in RH7777 rat hepatoma cells expres... | 16033271 |
| Lysophosphatidic acid receptor 1 | EC50 | = | 1850.0 | nM | 5.73 | Inhibition of LPA-induced calcium transients in RH7777 rat hepatoma cells expres... | 16033271 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16033271 | 10.1021/jm049609r | Lysophosphatidic acid receptor 1 | 3 |
| 16033271 | 10.1021/jm049609r | Lysophosphatidic acid receptor 3 | 3 |
| 16033271 | 10.1021/jm049609r | Lysophosphatidic acid receptor 2 | 2 |
| 16033271 | 10.1021/jm049609r | PC-3 | 1 |
| 16033271 | 10.1021/jm049609r | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine