Compound Detail
CHEMBL1999063
MENOCTONE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL1999063 |
| Name | MENOCTONE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | MGDIRAXSDLCQGC-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
5
Known Names
Molecular Properties
368.5
MW (Da)
6.58
ALogP
3
HBA
1
HBD
54.4
PSA (Ų)
0.50
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 6 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lacticaseibacillus casei CHEMBL613075 | IC50 | 4.72 | 4.465 | 19000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lacticaseibacillus casei | IC50 | = | 19000.0 | nM | 4.72 | Antibacterial activity against chlorguanide triazine-resistant Lactobacillus cas... | 137981 |
| Lacticaseibacillus casei | IC50 | = | 61000.0 | nM | 4.21 | Antibacterial activity against sensitive Lactobacillus casei ATCC 7469 assessed ... | 137981 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 137981 | 10.1021/jm00212a010 | Enterococcus faecium | 5 |
| 137981 | 10.1021/jm00212a010 | Lacticaseibacillus casei | 5 |
| 137981 | 10.1021/jm00212a010 | NON-PROTEIN TARGET | 4 |
| 137981 | 10.1021/jm00212a010 | Plasmodium berghei | 2 |
| 6790703 | 10.1021/jm00135a011 | Theileria parva | 1 |
| 6993681 | 10.1021/jm00180a003 | Plasmodium berghei | 1 |
| 6993681 | 10.1021/jm00180a003 | No relevant target | 1 |
| 137981 | 10.1021/jm00212a010 | Unchecked | 1 |
| 137981 | 10.1021/jm00212a010 | Escherichia coli | 1 |
Data from ChEMBL 36 via Core Engine