Compound Detail
CHEMBL4206497
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Basic Information
| ChEMBL ID | CHEMBL4206497 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTXBACRGTNTVAA-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
3.84
ALogP
3
HBA
3
HBD
99.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.94
Ki 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Uracil nucleotide/cysteinyl leukotriene receptor CHEMBL1075162 | EC50 | 6.94 | 6.94 | 115.0 | 1 |
| Uracil nucleotide/cysteinyl leukotriene receptor CHEMBL1075162 | Ki | 5.82 | 5.82 | 1500.0 | 1 |
| Uracil nucleotide/cysteinyl leukotriene receptor CHEMBL4295807 | EC50 | 5.28 | 5.28 | 5310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Uracil nucleotide/cysteinyl leukotriene receptor | EC50 | = | 115.0 | nM | 6.94 | Agonist activity at human GPR17 expressed in human 1321N1 cells assessed as indu... | 30048589 |
| Uracil nucleotide/cysteinyl leukotriene receptor | Ki | = | 1500.0 | nM | 5.82 | Displacement of [3H]PSB-12150 from human GPR17 expressed in CHO cell membranes a... | 30048589 |
| Uracil nucleotide/cysteinyl leukotriene receptor | EC50 | = | 5310.0 | nM | 5.28 | Agonist activity at rat GPR17 expressed in HEK293 cells assessed as induction of... | 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 | 2 |
| 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