Compound Detail
CHEMBL196082
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COc1ccccc1N1CCN(CCNC2=C(Br)CN3c4c(n(C)c(=O)n(C)c4=O)NC3N2)CC1
Basic Information
| ChEMBL ID | CHEMBL196082 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVAQNQSSSABTFG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
547.5
MW (Da)
0.19
ALogP
11
HBA
3
HBD
99.0
PSA (Ų)
0.47
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.65 | 6.65 | 223.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 223.87 | nM | 6.65 | Binding affinity of compound towards dopamine receptor D2 was determined | 15808487 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15808487 | 10.1016/j.bmcl.2005.02.012 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine