Compound Detail
CHEMBL5401368
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Basic Information
| ChEMBL ID | CHEMBL5401368 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEZXVYXQVVDVLB-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
500.5
MW (Da)
4.11
ALogP
7
HBA
1
HBD
78.4
PSA (Ų)
0.55
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysophosphatidic acid receptor 1 CHEMBL3819 | IC50 | 5.27 | 5.155 | 5370.3 | 2 |
| Lysophosphatidic acid receptor 2 CHEMBL3724 | IC50 | 5.21 | 5.025 | 6165.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysophosphatidic acid receptor 1 | IC50 | = | 5370.32 | nM | 5.27 | Antagonist activity at human LPA1 receptor expressed in CHO cells assessed as in... | 37017110 |
| Lysophosphatidic acid receptor 2 | IC50 | = | 6165.95 | nM | 5.21 | Antagonist activity at human LPA2 receptor expressed in CHO cells assessed as in... | 37017110 |
| Lysophosphatidic acid receptor 1 | IC50 | = | 9120.11 | nM | 5.04 | Antagonist activity at human LPA1 receptor expressed in CHO cells assessed as in... | 37017110 |
| Lysophosphatidic acid receptor 2 | IC50 | = | 14454.4 | nM | 4.84 | Antagonist activity at human LPA2 receptor expressed in CHO cells assessed as in... | 37017110 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37017110 | 10.1021/acs.jmedchem.2c02087 | ADMET | 4 |
| 37017110 | 10.1021/acs.jmedchem.2c02087 | Lysophosphatidic acid receptor 2 | 2 |
| 37017110 | 10.1021/acs.jmedchem.2c02087 | Lysophosphatidic acid receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine