Compound Detail
CHEMBL2261444
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Basic Information
| ChEMBL ID | CHEMBL2261444 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVHGZUMMCUZPHC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
138.1
MW (Da)
0.46
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B16 CHEMBL381 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B16 | IC50 | = | 13000.0 | nM | 4.89 | Cytotoxicity against mouse B16 cells | 25089179 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-009-9174-z | Rattus norvegicus | 24 |
| - | 10.1007/s00044-009-9174-z | Oryctolagus cuniculus | 4 |
| 25089179 | 10.1039/c4md00055b | B16 | 1 |
Data from ChEMBL 36 via Core Engine