Compound Detail
CHEMBL117529
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Basic Information
| ChEMBL ID | CHEMBL117529 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BXBZKTOVFLATAM-KTKRTIGZSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
417.5
MW (Da)
5.23
ALogP
3
HBA
3
HBD
103.7
PSA (Ų)
0.15
QED
1
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysophosphatidic acid receptor 1 CHEMBL3819 | EC50 | 6.66 | 6.66 | 221.0 | 3 |
| Lysophosphatidic acid receptor 2 CHEMBL3724 | EC50 | 5.96 | 5.96 | 1089.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysophosphatidic acid receptor 1 | EC50 | = | 221.0 | nM | 6.66 | Agonistic activity against lysophosphatidic acid receptor 1 using [35S]GTP-gamma... | 15177455 |
| Lysophosphatidic acid receptor 1 | EC50 | = | 221.0 | nM | 6.66 | Agonist activity at human LPA1 receptor transfected in HEK293T cells after 30 mi... | - |
| Lysophosphatidic acid receptor 1 | EC50 | = | 221.0 | nM | 6.66 | Agonist activity at LPA1R (unknown origin) by [35S]GTPgammaS binding assay | 31790581 |
| Lysophosphatidic acid receptor 2 | EC50 | = | 1089.0 | nM | 5.96 | Agonistic activity against lysophosphatidic acid receptor 2 using [35S]GTP-gamma... | 15177455 |
| Lysophosphatidic acid receptor 2 | EC50 | = | 1089.0 | nM | 5.96 | Agonist activity at LPA2 (unknown origin) by [35S]GTPgammaS binding assay | 31790581 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15177455 | 10.1016/j.bmcl.2004.04.061 | Lysophosphatidic acid receptor 1 | 2 |
| 15177455 | 10.1016/j.bmcl.2004.04.061 | Lysophosphatidic acid receptor 2 | 2 |
| 15177455 | 10.1016/j.bmcl.2004.04.061 | Lysophosphatidic acid receptor 3 | 2 |
| - | 10.1039/C4MD00333K | Lysophosphatidic acid receptor 1 | 1 |
| 31790581 | 10.1021/acs.jmedchem.9b01287 | Lysophosphatidic acid receptor 1 | 1 |
| 31790581 | 10.1021/acs.jmedchem.9b01287 | Lysophosphatidic acid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine