Compound Detail
CHEMBL394038
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Basic Information
| ChEMBL ID | CHEMBL394038 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLCOTOQYDQOJFM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
492.9
MW (Da)
4.69
ALogP
7
HBA
2
HBD
135.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysophosphatidic acid receptor 1 CHEMBL4595 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Lysophosphatidic acid receptor 1 CHEMBL3819 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysophosphatidic acid receptor 1 | IC50 | = | 110.0 | nM | 6.96 | Antagonist activity at LPA1 receptor in rat hepatic stellate cells assessed as i... | 17467986 |
| Lysophosphatidic acid receptor 1 | IC50 | = | 280.0 | nM | 6.55 | Antagonist activity at human recombinant LPA1 receptor expressed in CHOK1 cells ... | 17467986 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17467986 | 10.1016/j.bmcl.2007.04.024 | Lysophosphatidic acid receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine