Compound Detail
CHEMBL1199165
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Basic Information
| ChEMBL ID | CHEMBL1199165 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKDJYKAZLKJXPJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
321.4
MW (Da)
3.05
ALogP
4
HBA
4
HBD
112.6
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.62 | 4.62 | 23930.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 23930.0 | nM | 4.62 | Cytotoxicity against mouse MigA9 cells harboring mouse Hoxa9 gene incubated for ... | 30645099 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30645099 | 10.1021/acs.jmedchem.8b01448 | Unchecked | 13 |
| 30645099 | 10.1021/acs.jmedchem.8b01448 | HOXA9 DNA binding site | 3 |
| 30645099 | 10.1021/acs.jmedchem.8b01448 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine