Compound Detail
CHEMBL3972991
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CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1Nc1nnc(-c3cnc4ccccc4n3)s1)c1c(O)ccc(Cl)c12
Basic Information
| ChEMBL ID | CHEMBL3972991 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCOGIMHPGVVJSD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
612.2
MW (Da)
7.78
ALogP
9
HBA
2
HBD
90.3
PSA (Ų)
0.21
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 1 CHEMBL4315 | IC50 | 7.18 | 7.18 | 66.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 1 | IC50 | = | 66.0 | nM | 7.18 | Scintillation Proximity Assay (SPA) Assay: SPA membrane binding assay was used t... | - |
Data from ChEMBL 36 via Core Engine