Compound Detail
CHEMBL194379
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Cn1c2c(c(=O)n(C)c1=O)N1CC(Br)=C(NCCN3CCN(c4cccc(Cl)c4)CC3)NC1N2
Basic Information
| ChEMBL ID | CHEMBL194379 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKBVHUNGQLDVHY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
551.9
MW (Da)
0.83
ALogP
10
HBA
3
HBD
89.8
PSA (Ų)
0.50
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.78 | 6.78 | 166.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 165.96 | nM | 6.78 | 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