Compound Detail
CHEMBL4215280
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Basic Information
| ChEMBL ID | CHEMBL4215280 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFPCHYJCZVFAIV-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
367.8
MW (Da)
4.50
ALogP
3
HBA
3
HBD
99.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.17
Ki 1 meas. best 4.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Uracil nucleotide/cysteinyl leukotriene receptor CHEMBL1075162 | EC50 | 7.17 | 7.17 | 67.0 | 1 |
| Uracil nucleotide/cysteinyl leukotriene receptor CHEMBL4295807 | EC50 | 5.64 | 5.64 | 2300.0 | 1 |
| Uracil nucleotide/cysteinyl leukotriene receptor CHEMBL4295864 | EC50 | 5.52 | 5.52 | 3030.0 | 1 |
| Uracil nucleotide/cysteinyl leukotriene receptor CHEMBL1075162 | Ki | 4.88 | 4.88 | 13100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Uracil nucleotide/cysteinyl leukotriene receptor | EC50 | = | 67.0 | nM | 7.17 | Agonist activity at human GPR17 expressed in human 1321N1 cells assessed as indu... | 30048589 |
| Uracil nucleotide/cysteinyl leukotriene receptor | EC50 | = | 2300.0 | nM | 5.64 | Agonist activity at rat GPR17 expressed in HEK293 cells assessed as induction of... | 30048589 |
| Uracil nucleotide/cysteinyl leukotriene receptor | EC50 | = | 3030.0 | nM | 5.52 | Agonist activity at mouse GPR17 expressed in HEK293 cells assessed as induction ... | 30048589 |
| Uracil nucleotide/cysteinyl leukotriene receptor | Ki | = | 13100.0 | nM | 4.88 | Displacement of [3H]PSB-12150 from human GPR17 expressed in CHO cell membranes a... | 30048589 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30048589 | 10.1021/acs.jmedchem.7b01768 | Uracil nucleotide/cysteinyl leukotriene receptor | 7 |
| 30048589 | 10.1021/acs.jmedchem.7b01768 | Unchecked | 3 |
| 30048589 | 10.1021/acs.jmedchem.7b01768 | P2Y purinoceptor 1 | 1 |
| 30048589 | 10.1021/acs.jmedchem.7b01768 | P2Y purinoceptor 2 | 1 |
| 30048589 | 10.1021/acs.jmedchem.7b01768 | P2Y purinoceptor 4 | 1 |
| 30048589 | 10.1021/acs.jmedchem.7b01768 | P2Y purinoceptor 6 | 1 |
| 30048589 | 10.1021/acs.jmedchem.7b01768 | P2Y purinoceptor 12 | 1 |
| 30048589 | 10.1021/acs.jmedchem.7b01768 | P2Y purinoceptor 14 | 1 |
Data from ChEMBL 36 via Core Engine