Compound Detail
CHEMBL3856090
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NC(=S)n1[nH]c(-c2ccc([N+](=O)[O-])cc2)c(/N=N/c2cccc([N+](=O)[O-])c2)c1=O
Basic Information
| ChEMBL ID | CHEMBL3856090 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLHQJMGCPDOWLS-VHEBQXMUSA-N |
7
Targets
8
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
413.4
MW (Da)
3.17
ALogP
9
HBA
2
HBD
174.8
PSA (Ų)
0.28
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.77
EC50 3 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.77 | 5.77 | 1687.3 | 1 |
| Eukaryotic translation initiation factor 4H CHEMBL1293274 | IC50 | 5.58 | 5.58 | 2660.0 | 1 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 5.55 | 5.55 | 2832.0 | 1 |
| Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1 CHEMBL2097170 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| DNA damage-inducible transcript 3 protein CHEMBL2146304 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.93 | 4.645 | 11646.0 | 2 |
| Polyadenylate-binding protein 1 CHEMBL1293286 | IC50 | 4.37 | 4.37 | 42485.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine