Compound Detail
CHEMBL13277
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1ccc(S(=O)(=O)O)cc1.N/C(=N\O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1
Basic Information
| ChEMBL ID | CHEMBL13277 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLOHXOYJHXJVEQ-SODSUQDMSA-N |
| Parent Compound | CHEMBL609957 |
| Active Moiety | CHEMBL609957 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
257.6
MW (Da)
0.88
ALogP
5
HBA
3
HBD
126.1
PSA (Ų)
0.24
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rous sarcoma virus CHEMBL614951 | IC50 | 5.02 | 5.02 | 9549.9 | 1 |
| L1210 CHEMBL386 | IC50 | 4.9 | 4.9 | 12589.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rous sarcoma virus | IC50 | = | 9549.93 | nM | 5.02 | Concentration required for 50% inhibition of cell transformation by Rous Sarcoma... | 2991520 |
| L1210 | IC50 | = | 12589.25 | nM | 4.9 | Concentration required for 50% inhibition of cell growth (L1210 Leukemia) | 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