Compound Detail
CHEMBL4780920
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Basic Information
| ChEMBL ID | CHEMBL4780920 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUHUXAJPBMMFHX-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
1
PK Parameters
8
Publications
0
Known Names
Molecular Properties
412.4
MW (Da)
3.92
ALogP
6
HBA
1
HBD
115.6
PSA (Ų)
0.37
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Uracil nucleotide/cysteinyl leukotriene receptor CHEMBL1075162 | IC50 | 5.72 | 5.72 | 1920.0 | 1 |
| P2Y purinoceptor 2 CHEMBL4398 | IC50 | 5.46 | 5.46 | 3430.0 | 1 |
| P2Y purinoceptor 6 CHEMBL3543 | IC50 | 5.21 | 5.21 | 6190.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.395 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Uracil nucleotide/cysteinyl leukotriene receptor | IC50 | = | 1920.0 | nM | 5.72 | Antagonist activity at human GPR17 expressed in human 1321N1 cells assessed as i... | 31727469 |
| P2Y purinoceptor 2 | IC50 | = | 3430.0 | nM | 5.46 | Antagonist activity at human P2Y2 receptor expressed in human 1321N1 cells asses... | 31727469 |
| P2Y purinoceptor 6 | IC50 | = | 6190.0 | nM | 5.21 | Antagonist activity at rat P2Y6 receptor expressed in human 1321N1 cells assesse... | 31727469 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31727469 | 10.1016/j.ejmech.2019.111789 | ADMET | 3 |
| 31727469 | 10.1016/j.ejmech.2019.111789 | P2Y purinoceptor 2 | 2 |
| 31727469 | 10.1016/j.ejmech.2019.111789 | Uracil nucleotide/cysteinyl leukotriene receptor | 2 |
| 31727469 | 10.1016/j.ejmech.2019.111789 | P2Y purinoceptor 4 | 1 |
| 31727469 | 10.1016/j.ejmech.2019.111789 | P2Y purinoceptor 6 | 1 |
| 31727469 | 10.1016/j.ejmech.2019.111789 | P2Y purinoceptor 1 | 1 |
| 31727469 | 10.1016/j.ejmech.2019.111789 | P2Y purinoceptor 12 | 1 |
| 31727469 | 10.1016/j.ejmech.2019.111789 | P2Y purinoceptor 14 | 1 |
Data from ChEMBL 36 via Core Engine