Compound Detail
CHEMBL5944579
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Basic Information
| ChEMBL ID | CHEMBL5944579 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBIWLKCKEJWSPC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
266.3
MW (Da)
0.63
ALogP
5
HBA
2
HBD
68.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 13 CHEMBL3321651 | EC50 | 4.31 | 4.31 | 48890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 13 | EC50 | = | 48890.0 | nM | 4.31 | Ca++ flux assay: Compounds were assayed for their agonist activity on P2Y13 GPCR... | - |
Data from ChEMBL 36 via Core Engine