Compound Detail
CHEMBL2432023
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Basic Information
| ChEMBL ID | CHEMBL2432023 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDZPDZOUXAGXOV-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
213.2
MW (Da)
1.58
ALogP
4
HBA
1
HBD
71.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.96 | 5.4833 | 1100.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of Haemophilus influenzae TrmD using S-[methyl-3H] adenosyl-L-methion... | 23981144 |
| Unchecked | IC50 | = | 4800.0 | nM | 5.32 | Inhibition of Escherichia coli TrmD using S-[methyl-3H] adenosyl-L-methionine as... | 23981144 |
| Unchecked | IC50 | = | 6700.0 | nM | 5.17 | Inhibition of Staphylococcus aureus TrmD using S-[methyl-3H] adenosyl-L-methioni... | 23981144 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23981144 | 10.1021/jm400718n | Unchecked | 3 |
| 23981144 | 10.1021/jm400718n | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine