Compound Detail
CHEMBL139517
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Basic Information
| ChEMBL ID | CHEMBL139517 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZGCSNRKSJLVANE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
394.2
MW (Da)
5.15
ALogP
2
HBA
3
HBD
77.8
PSA (Ų)
0.32
QED
1
Ro5 Violations
0
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 |
|---|---|---|---|---|---|
| B16 CHEMBL381 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B16 | IC50 | = | 24000.0 | nM | 4.62 | Antiproliferative activity against B16 mouse melanoma cells | 8893841 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80167-5 | Protein kinase C (PKC) | 1 |
| - | 10.1016/S0960-894X(00)80167-5 | cAMP-dependent protein kinase (PKA) | 1 |
| 8893841 | 10.1021/jm9603779 | Protein kinase C alpha type | 1 |
| 8893841 | 10.1021/jm9603779 | Unchecked | 1 |
| 8893841 | 10.1021/jm9603779 | B16 | 1 |
| 8893841 | 10.1021/jm9603779 | P388 | 1 |
| 8893841 | 10.1021/jm9603779 | DNA topoisomerase 1 | 1 |
| 8893841 | 10.1021/jm9603779 | DNA topoisomerase 2-beta | 1 |
| 8893841 | 10.1021/jm9603779 | Bacillus cereus | 1 |
Data from ChEMBL 36 via Core Engine