Compound Detail
CHEMBL23066
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CS(=O)(=O)CCN(CCS(C)(=O)=O)c1cc(C(N)=O)c([N+](=O)[O-])cc1[N+](=O)[O-]
Basic Information
| ChEMBL ID | CHEMBL23066 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCBFRJVWIVKTQT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
438.4
MW (Da)
-0.50
ALogP
10
HBA
1
HBD
200.9
PSA (Ų)
0.37
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Modulator of drug activity A CHEMBL5502 | IC50 | 5.03 | 5.03 | 9300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Modulator of drug activity A | IC50 | = | 9300.0 | nM | 5.03 | Cytotoxicity in T79-A3 (NR-positive) cell lines | 9111301 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9111301 | 10.1021/jm960794l | Modulator of drug activity A | 2 |
| 9111301 | 10.1021/jm960794l | T78-1 | 1 |
Data from ChEMBL 36 via Core Engine