Compound Detail
CHEMBL1309432
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O=C(N=Nc1c(O)[nH]c2ccc([N+](=O)[O-])cc12)c1cc(-c2ccccc2Cl)nc2ccccc12
Basic Information
| ChEMBL ID | CHEMBL1309432 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LURWMMNYAXSHCC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
471.9
MW (Da)
6.57
ALogP
6
HBA
2
HBD
133.8
PSA (Ų)
0.17
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 CHEMBL1795098 | IC50 | 6.15 | 6.15 | 711.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.93 | 5.93 | 1181.9 | 1 |
| Calpain-2 catalytic subunit CHEMBL4143 | IC50 | 5.34 | 5.34 | 4556.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 | IC50 | = | 711.0 | nM | 6.15 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase ... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 1181.92 | nM | 5.93 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Calpain-2 catalytic subunit | IC50 | = | 4556.09 | nM | 5.34 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Calpain Inhibitors. (Class of a... | - |
Data from ChEMBL 36 via Core Engine