Compound Detail
CHEMBL1471907
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Basic Information
| ChEMBL ID | CHEMBL1471907 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSHGGRRHDCDVMV-MHWRWJLKSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
421.5
MW (Da)
3.26
ALogP
7
HBA
1
HBD
81.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.46
EC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.46 | 5.46 | 3437.5 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.99 | 4.99 | 10260.0 | 1 |
| Protein RecA CHEMBL1741171 | EC50 | 4.92 | 4.92 | 11900.0 | 1 |
| Calpain-2 catalytic subunit CHEMBL4143 | IC50 | 4.87 | 4.87 | 13381.8 | 1 |
| Envelope glycoprotein gp160 CHEMBL1293311 | IC50 | 4.78 | 4.78 | 16500.0 | 1 |
| Aminopeptidase N CHEMBL4117 | IC50 | 4.29 | 4.29 | 51750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 3437.53 | nM | 5.46 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Unchecked | IC50 | = | 10260.0 | nM | 4.99 | PUBCHEM_BIOASSAY: A Cell Based Assay for the Identification of Lead Compounds wi... | - |
| Protein RecA | EC50 | = | 11900.0 | nM | 4.92 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| Calpain-2 catalytic subunit | IC50 | = | 13381.83 | nM | 4.87 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Calpain Inhibitors. (Class of a... | - |
| Envelope glycoprotein gp160 | IC50 | = | 16500.0 | nM | 4.78 | PUBCHEM_BIOASSAY: uHTS fluorescence assay for the identification of Human Immuno... | - |
| Aminopeptidase N | IC50 | = | 51750.0 | nM | 4.29 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... | - |
Data from ChEMBL 36 via Core Engine