Compound Detail
CHEMBL187633
PHOSPHORIC ACID MONOTETRADECYL ESTER Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL187633 |
| Name | PHOSPHORIC ACID MONOTETRADECYL ESTER |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KRIXEEBVZRZHOS-UHFFFAOYSA-N |
3
Targets
6
Activities
3
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
4.80
ALogP
2
HBA
2
HBD
66.8
PSA (Ų)
0.36
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.38
Ki 2 meas. best 6.68
EC50 1 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysophosphatidic acid receptor 3 CHEMBL3250 | Ki | 6.68 | 6.68 | 211.0 | 1 |
| Lysophosphatidic acid receptor 3 CHEMBL3250 | IC50 | 6.38 | 6.38 | 422.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 6.38 | 6.38 | 420.0 | 1 |
| Homo sapiens CHEMBL372 | EC50 | 6.37 | 6.37 | 430.0 | 1 |
| Lysophosphatidic acid receptor 1 CHEMBL3819 | Ki | 5.97 | 5.97 | 1082.0 | 1 |
| Lysophosphatidic acid receptor 1 CHEMBL3819 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysophosphatidic acid receptor 3 | Ki | = | 211.0 | nM | 6.68 | Binding affinity for Lysophosphatidic acid receptor 3 expressed in RH7777 rat he... | 16033271 |
| Homo sapiens | IC50 | = | 420.0 | nM | 6.38 | Inhibitory concentration of compound (after 30 min of incubation) against LPA hu... | 16033271 |
| Lysophosphatidic acid receptor 3 | IC50 | = | 422.0 | nM | 6.38 | Inhibition of LPA-induced calcium transients in RH7777 rat hepatoma cells expres... | 16033271 |
| Homo sapiens | EC50 | = | 430.0 | nM | 6.37 | Concentration of compound (after 5 min of addition) that induce LPA expressed in... | 16033271 |
| Lysophosphatidic acid receptor 1 | Ki | = | 1082.0 | nM | 5.97 | Binding affinity for Lysophosphatidic acid receptor 1 expressed in RH7777 rat he... | 16033271 |
| Lysophosphatidic acid receptor 1 | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of LPA-induced calcium transients in RH7777 rat hepatoma cells expres... | 16033271 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16033271 | 10.1021/jm049609r | Lysophosphatidic acid receptor 1 | 3 |
| 16033271 | 10.1021/jm049609r | Homo sapiens | 3 |
| 16033271 | 10.1021/jm049609r | Lysophosphatidic acid receptor 2 | 3 |
| 16033271 | 10.1021/jm049609r | Lysophosphatidic acid receptor 3 | 3 |
| 16033271 | 10.1021/jm049609r | Unchecked | 1 |
| 16033271 | 10.1021/jm049609r | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine