Compound Detail
CHEMBL4859053
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Cc1cn2cc(-c3ccc(-c4cnc(N5CCN[C@@H](C(C)C)C5)nn4)c(O)c3)ncc2n1
Basic Information
| ChEMBL ID | CHEMBL4859053 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WRMIMSICNFPHGM-LJQANCHMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
430.5
MW (Da)
2.70
ALogP
9
HBA
2
HBD
104.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Huntingtin CHEMBL5514 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Huntingtin | IC50 | = | 2.3 | nM | 8.64 | Inhibition of endogenous Huntingtin protein (unknown origin) incubated for overn... | 34917244 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34917244 | 10.1021/acsmedchemlett.1c00607 | Huntingtin | 1 |
Data from ChEMBL 36 via Core Engine