Compound Detail
CHEMBL1303326
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CCN1C/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)C1
Basic Information
| ChEMBL ID | CHEMBL1303326 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISTYUYUNBPSMOU-BEQMOXJMSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
393.4
MW (Da)
3.87
ALogP
6
HBA
0
HBD
106.6
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.93 | 6.12 | 117.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 117.0 | nM | 6.93 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 187.0 | nM | 6.73 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 20000.0 | nM | 4.7 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits that enhance the survi... | - |
Data from ChEMBL 36 via Core Engine