Compound Detail
CHEMBL3261888
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Basic Information
| ChEMBL ID | CHEMBL3261888 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QESOZGXXWAIOJM-SFQUDFHCSA-N |
7
Targets
10
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
273.4
MW (Da)
4.35
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.34 | 5.34 | 4600.0 | 1 |
| Escherichia coli CHEMBL354 | IC50 | 5.17 | 5.17 | 6700.0 | 1 |
| Saccharomyces cerevisiae CHEMBL361 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.29 | 4.29 | 51000.0 | 1 |
| Bacillus subtilis CHEMBL359 | IC50 | 4.21 | 4.21 | 62000.0 | 1 |
| Candida albicans CHEMBL366 | IC50 | 4.13 | 4.13 | 74000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4600.0 | nM | 5.34 | Inhibition of Escherichia coli N-terminal strep-tagged MenA expressed in Escheri... | 24568559 |
| Escherichia coli | IC50 | = | 6700.0 | nM | 5.17 | Induction of collapse in deltapH in Escherichia coli inverted membrane vesicles ... | 24568559 |
| Saccharomyces cerevisiae | IC50 | = | 11000.0 | nM | 4.96 | Antimicrobial activity against Saccharomyces cerevisiae ATCC 208352 after 48 hrs... | 24568559 |
| MCF7 | IC50 | = | 23000.0 | nM | 4.64 | Cytotoxicity against human MCF7 cells assessed as growth inhibition by MTT assay | 24568559 |
| Plasmodium falciparum | IC50 | = | 51000.0 | nM | 4.29 | Antimicrobial activity against Plasmodium falciparum 3D7 by intraerythrocytic as... | 24568559 |
| Bacillus subtilis | IC50 | = | 62000.0 | nM | 4.21 | Antimicrobial activity against Bacillus subtilis subsp. subtilis ATCC 6051 after... | 24568559 |
| Candida albicans | IC50 | = | 74000.0 | nM | 4.13 | Antimicrobial activity against Candida albicans CAI-4 | 24568559 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24568559 | 10.1021/jm500131s | Mycolicibacterium smegmatis | 3 |
| 24568559 | 10.1021/jm500131s | Unchecked | 3 |
| 24568559 | 10.1021/jm500131s | Escherichia coli | 2 |
| 24568559 | 10.1021/jm500131s | Mycobacterium tuberculosis | 1 |
| 24568559 | 10.1021/jm500131s | Staphylococcus aureus | 1 |
| 24568559 | 10.1021/jm500131s | Bacillus subtilis | 1 |
| 24568559 | 10.1021/jm500131s | Saccharomyces cerevisiae | 1 |
| 24568559 | 10.1021/jm500131s | Candida albicans | 1 |
| 24568559 | 10.1021/jm500131s | Plasmodium falciparum | 1 |
| 24568559 | 10.1021/jm500131s | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine