Compound Detail
CHEMBL4447162
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N=c1ccc2c(-c3ccc(C(=O)NCCCCCCn4cc(CCCCN5CCC(c6ccc(-c7cc(C(=O)O)cc8cc(-c9ccc(C(F)(F)F)cc9)ccc78)cc6)CC5)nn4)cc3C(=O)O)c3ccc(N)c(S(=O)(=O)O)c3oc-2c1S(=O)(=O)O
Basic Information
| ChEMBL ID | CHEMBL4447162 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FMXSYRBHGUMFBA-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1214.3
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 10.1
Kd 1 meas. best 7.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 14 CHEMBL4518 | Ki | 10.1 | 10.1 | 0.1 | 3 |
| P2Y purinoceptor 14 CHEMBL4518 | Kd | 7.56 | 7.56 | 27.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 14 | Ki | = | 0.08 | nM | 10.1 | Inhibition of human P2Y14 receptor expressed in CHO cells by fluorescence assay | 31071548 |
| P2Y purinoceptor 14 | Ki | = | 0.08 | nM | 10.1 | Antagonist activity at human P2Y14R expressed in CHO cells assessed as inhibitio... | 27331270 |
| P2Y purinoceptor 14 | Ki | = | 0.08 | nM | 10.1 | Inhibition of human P2Y14R | 32787142 |
| P2Y purinoceptor 14 | Kd | = | 27.8 | nM | 7.56 | Binding affinity to human P2Y14R stably expressed in CHO cells assessed as disso... | 37382926 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37382926 | 10.1021/acs.jmedchem.3c00664 | P2Y purinoceptor 14 | 4 |
| 31071548 | 10.1016/j.ejmech.2019.04.068 | P2Y purinoceptor 14 | 1 |
| 27331270 | 10.1021/acs.jmedchem.6b00044 | P2Y purinoceptor 14 | 1 |
| 32787142 | 10.1021/acs.jmedchem.0c00745 | P2Y purinoceptor 14 | 1 |
| 37382926 | 10.1021/acs.jmedchem.3c00664 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine