Compound Detail
CHEMBL302381
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Basic Information
| ChEMBL ID | CHEMBL302381 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQNTVNXGJTUWAX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
545.5
MW (Da)
8.24
ALogP
2
HBA
0
HBD
33.5
PSA (Ų)
0.16
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 80.0 | nM | 7.1 | Binding affinity was determined as the ability to displace [3H]4''CD from the (m... | 9873493 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873493 | 10.1016/s0960-894x(98)00374-6 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine