Compound Detail
CHEMBL1420642
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Basic Information
| ChEMBL ID | CHEMBL1420642 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UIRXGDDZXKKMKG-YHYXMXQVSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
404.2
MW (Da)
3.53
ALogP
6
HBA
1
HBD
106.7
PSA (Ų)
0.36
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.86 | 5.86 | 1394.9 | 1 |
| Aminopeptidase N CHEMBL4117 | IC50 | 5.23 | 5.23 | 5940.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.63 | 4.63 | 23390.0 | 1 |
| Bifunctional protein GlmU CHEMBL1293297 | IC50 | 4.21 | 4.21 | 60900.0 | 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 | = | 1394.87 | nM | 5.86 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Aminopeptidase N | IC50 | = | 5940.0 | nM | 5.23 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... | - |
| Unchecked | IC50 | = | 23390.0 | nM | 4.63 | PUBCHEM_BIOASSAY: A biochemical assay using the ADP-Hunter methodology, purified... | - |
| Bifunctional protein GlmU | IC50 | = | 60900.0 | nM | 4.21 | PUBCHEM_BIOASSAY: Inhibitors of Mycobacterial Glucosamine-1-phosphate acetyl tra... | - |
Data from ChEMBL 36 via Core Engine