Compound Detail
CHEMBL5633770
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COc1cc([C@H](C)N(CCCCc2ccccc2)C(=O)NC2(C(=O)O)CC(F)(F)C2)cc(OC)c1C
Basic Information
| ChEMBL ID | CHEMBL5633770 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OCWUNBLJBASPCI-IBGZPJMESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
504.6
MW (Da)
5.36
ALogP
4
HBA
2
HBD
88.1
PSA (Ų)
0.40
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysophosphatidic acid receptor 1 CHEMBL3819 | IC50 | 6.33 | 6.33 | 470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysophosphatidic acid receptor 1 | IC50 | = | 470.0 | nM | 6.33 | Antagonist activity at human LPA1 receptor stably expressed in rat RH7777 cells ... | 37639822 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37639822 | 10.1016/j.ejmech.2023.115749 | Lysophosphatidic acid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine