Compound Detail
CHEMBL12586
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Basic Information
| ChEMBL ID | CHEMBL12586 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSIHEUSNKFAHGO-OAZHBLANSA-N |
| Parent Compound | CHEMBL1178077 |
| Active Moiety | CHEMBL1178077 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
179.2
MW (Da)
-0.29
ALogP
4
HBA
3
HBD
95.9
PSA (Ų)
0.25
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 4.64 | 4.64 | 22908.7 | 1 |
| Rous sarcoma virus CHEMBL614951 | IC50 | 4.09 | 4.09 | 81283.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 22908.68 | nM | 4.64 | Concentration required for 50% inhibition of cell growth (L1210 Leukemia) | 2991520 |
| Rous sarcoma virus | IC50 | = | 81283.05 | nM | 4.09 | Concentration required for 50% inhibition of cell transformation by Rous Sarcoma... | 2991520 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2991520 | 10.1021/jm00146a022 | L1210 | 2 |
| 2991520 | 10.1021/jm00146a022 | Rous sarcoma virus | 2 |
Data from ChEMBL 36 via Core Engine