Compound Detail
CHEMBL2297366
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Basic Information
| ChEMBL ID | CHEMBL2297366 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DOBRZSXOKMHUGJ-BGPOSVGRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
433.1
MW (Da)
4.85
ALogP
2
HBA
1
HBD
29.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B16 CHEMBL381 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B16 | IC50 | = | 2100.0 | nM | 5.68 | Cytotoxicity against Mus musculus (mouse) B16 cells assessed as growth inhibitio... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-013-0557-9 | L1210 | 1 |
| - | 10.1007/s00044-013-0557-9 | B16 | 1 |
Data from ChEMBL 36 via Core Engine