Compound Detail
CHEMBL1428894
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Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=C(S)Nc2cccc(Cl)c2)c(C)c1
Basic Information
| ChEMBL ID | CHEMBL1428894 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTIYTXBBSMHRRX-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
506.0
MW (Da)
5.39
ALogP
6
HBA
4
HBD
125.7
PSA (Ų)
0.11
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.08
IC50 1 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 6.08 | 6.08 | 833.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 6.06 | 6.06 | 865.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.63 | 5.63 | 2365.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.24 | 5.24 | 5740.5 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.51 | 4.51 | 30823.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptococcus sp. 'group A' | EC50 | = | 833.0 | nM | 6.08 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptokinase A | EC50 | = | 865.0 | nM | 6.06 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 2365.0 | nM | 5.63 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 5740.5 | nM | 5.24 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Unchecked | EC50 | = | 30823.0 | nM | 4.51 | PUBCHEM_BIOASSAY: Screen for small molecule probes relevant to Friedreichs ataxi... | - |
Data from ChEMBL 36 via Core Engine