Compound Detail
CHEMBL1774891
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Basic Information
| ChEMBL ID | CHEMBL1774891 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQPZAISPIXNHAJ-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
388.5
MW (Da)
6.46
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.43
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.22
Ki 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.8 | 7.8 | 16.0 | 1 |
| Uncharacterized protein CHEMBL3831325 | IC50 | 7.79 | 7.79 | 16.3 | 1 |
| P2Y purinoceptor 14 CHEMBL1770046 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6.0 | nM | 8.22 | Antagonist activity at chimpanzee P2Y14 receptor expressed in HEK293 cells asses... | 21507640 |
| Unchecked | Ki | = | 16.0 | nM | 7.8 | Displacement of [3H]-UDP from chimpanzee P2Y14 receptor expressed in HEK293 cell... | 21507640 |
| Uncharacterized protein | IC50 | = | 16.3 | nM | 7.79 | Antagonist activity against chimpanzee GPR105 expressed in stable HEK cells co-e... | - |
| P2Y purinoceptor 14 | IC50 | = | 26.0 | nM | 7.58 | Antagonist activity at mouse P2Y14 receptor expressed in HEK293 cells assessed a... | 21507640 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21507640 | 10.1016/j.bmcl.2011.03.081 | Unchecked | 2 |
| 21507640 | 10.1016/j.bmcl.2011.03.081 | P2Y purinoceptor 14 | 1 |
Data from ChEMBL 36 via Core Engine