Compound Detail
CHEMBL1583537
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Basic Information
| ChEMBL ID | CHEMBL1583537 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTPIGUOTELOGDK-YRNVUSSQSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
323.3
MW (Da)
3.97
ALogP
6
HBA
1
HBD
100.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.47
EC50 1 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.47 | 5.47 | 3410.0 | 1 |
| Protein RecA CHEMBL1741171 | EC50 | 5.34 | 5.34 | 4580.0 | 1 |
| Envelope glycoprotein gp160 CHEMBL1293311 | IC50 | 4.6 | 4.6 | 25200.0 | 1 |
| Aminopeptidase N CHEMBL4117 | IC50 | 4.47 | 4.47 | 33890.0 | 1 |
| Bifunctional protein GlmU CHEMBL1293297 | IC50 | 4.14 | 4.14 | 71820.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3410.0 | nM | 5.47 | PUBCHEM_BIOASSAY: A Cell Based Assay for the Identification of Lead Compounds wi... | - |
| Protein RecA | EC50 | = | 4580.0 | nM | 5.34 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| Envelope glycoprotein gp160 | IC50 | = | 25200.0 | nM | 4.6 | PUBCHEM_BIOASSAY: uHTS fluorescence assay for the identification of Human Immuno... | - |
| Aminopeptidase N | IC50 | = | 33890.0 | nM | 4.47 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... | - |
| Bifunctional protein GlmU | IC50 | = | 71820.0 | nM | 4.14 | PUBCHEM_BIOASSAY: Inhibitors of Mycobacterial Glucosamine-1-phosphate acetyl tra... | - |
Data from ChEMBL 36 via Core Engine