Compound Detail
CHEMBL1377466
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Basic Information
| ChEMBL ID | CHEMBL1377466 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVLCUQIXLKNBDN-KWWXOIQGSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
433.9
MW (Da)
2.75
ALogP
7
HBA
1
HBD
108.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.3 | 5.3 | 4984.1 | 1 |
| Aminopeptidase N CHEMBL4117 | IC50 | 5.29 | 5.29 | 5150.0 | 1 |
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 CHEMBL1795098 | IC50 | 5.23 | 5.23 | 5935.0 | 1 |
| Envelope glycoprotein gp160 CHEMBL1293311 | IC50 | 4.73 | 4.73 | 18500.0 | 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 | = | 4984.13 | nM | 5.3 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Aminopeptidase N | IC50 | = | 5150.0 | nM | 5.29 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... | - |
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 | IC50 | = | 5935.0 | nM | 5.23 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase ... | - |
| Envelope glycoprotein gp160 | IC50 | = | 18500.0 | nM | 4.73 | PUBCHEM_BIOASSAY: uHTS fluorescence assay for the identification of Human Immuno... | - |
Data from ChEMBL 36 via Core Engine