Compound Detail
CHEMBL5898048
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CC[C@@H](C)Oc1ccc2c(n1)CCN(CC[C@H]1CC[C@H](NC(=O)c3cccc4nn(C)cc34)CC1)CC2
Basic Information
| ChEMBL ID | CHEMBL5898048 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OVCKLMKHELICSW-CQOQZXRMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
503.7
MW (Da)
4.93
ALogP
6
HBA
1
HBD
72.3
PSA (Ų)
0.47
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 10.0 | 10.0 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 0.1 | nM | 10.0 | Binding Inhibition for Dopamine D3 Receptor: Buffer solution: 50 mM Tris-HCl (35... | - |
Data from ChEMBL 36 via Core Engine