Compound Detail
CHEMBL1361920
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Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1
Basic Information
| ChEMBL ID | CHEMBL1361920 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFRAROVBRVKZJH-RGVLZGJSSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
477.9
MW (Da)
4.11
ALogP
5
HBA
2
HBD
108.7
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.99
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 | 5.99 | 5.99 | 1025.0 | 1 |
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 5.47 | 5.47 | 3350.0 | 1 |
| Bifunctional protein GlmU CHEMBL1293297 | IC50 | 4.14 | 4.14 | 71930.0 | 1 |
| Leucine aminopeptidase CHEMBL1293313 | IC50 | 4.14 | 4.14 | 72650.0 | 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 | = | 1025.0 | nM | 5.99 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase ... | - |
| DNA (cytosine-5)-methyltransferase 1 | IC50 | = | 3350.0 | nM | 5.47 | PUBCHEM_BIOASSAY: Dose response confirmation of DNMT1 inhibitors in a Fluorescen... | - |
| Bifunctional protein GlmU | IC50 | = | 71930.0 | nM | 4.14 | PUBCHEM_BIOASSAY: Inhibitors of Mycobacterial Glucosamine-1-phosphate acetyl tra... | - |
| Leucine aminopeptidase | IC50 | = | 72650.0 | nM | 4.14 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M17- Family Leucine Aminop... | - |
Data from ChEMBL 36 via Core Engine