Compound Detail
CHEMBL1492926
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CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)O)cc2)o1
Basic Information
| ChEMBL ID | CHEMBL1492926 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GPVXIJOQCXDNIU-BOPFTXTBSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
450.8
MW (Da)
4.80
ALogP
5
HBA
2
HBD
120.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.62
EC50 1 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein RecA CHEMBL1741171 | EC50 | 6.4 | 6.4 | 400.0 | 1 |
| Aminopeptidase N CHEMBL4117 | IC50 | 5.62 | 5.62 | 2410.0 | 1 |
| Bifunctional protein GlmU CHEMBL1293297 | IC50 | 4.03 | 4.03 | 94070.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein RecA | EC50 | = | 400.0 | nM | 6.4 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| Aminopeptidase N | IC50 | = | 2410.0 | nM | 5.62 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... | - |
| Bifunctional protein GlmU | IC50 | = | 94070.0 | nM | 4.03 | PUBCHEM_BIOASSAY: Inhibitors of Mycobacterial Glucosamine-1-phosphate acetyl tra... | - |
Data from ChEMBL 36 via Core Engine