Compound Detail
CHEMBL5272430
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1cc(C(=O)N(CCCc2ccccc2)Cc2ccc(-c3ccccc3CC(=O)O)cc2)cc(OC)c1OC
Basic Information
| ChEMBL ID | CHEMBL5272430 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZAFJIQGXTLUSSN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
553.7
MW (Da)
6.28
ALogP
5
HBA
1
HBD
85.3
PSA (Ų)
0.21
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysophosphatidic acid receptor 1 CHEMBL3819 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysophosphatidic acid receptor 1 | IC50 | = | 190.0 | nM | 6.72 | Antagonist activity at human LPA1 receptor | 34126459 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34126459 | 10.1016/j.ejmech.2021.113574 | Lysophosphatidic acid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine