Compound Detail
CHEMBL2432000
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Basic Information
| ChEMBL ID | CHEMBL2432000 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZOJIHHOGTNVURO-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
1.37
ALogP
5
HBA
3
HBD
100.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.01 | 6.176 | 98.0 | 5 |
| Klebsiella pneumoniae CHEMBL350 | IC50 | 6.08 | 6.08 | 830.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 98.0 | nM | 7.01 | Inhibition of Pseudomonas aeruginosa TrmD using S-[methyl-3H] adenosyl-L-methion... | 23981144 |
| Unchecked | IC50 | = | 560.0 | nM | 6.25 | Inhibition of Haemophilus influenzae TrmD using S-[methyl-3H] adenosyl-L-methion... | 23981144 |
| Unchecked | IC50 | = | 610.0 | nM | 6.21 | Inhibition of Acinetobacter baumannii TrmD using S-[methyl-3H] adenosyl-L-methio... | 23981144 |
| Klebsiella pneumoniae | IC50 | = | 830.0 | nM | 6.08 | Inhibition of Klebsiella pneumoniae TrmD using S-[methyl-3H] adenosyl-L-methioni... | 23981144 |
| Unchecked | IC50 | = | 910.0 | nM | 6.04 | Inhibition of Escherichia coli TrmD using S-[methyl-3H] adenosyl-L-methionine as... | 23981144 |
| Unchecked | IC50 | = | 4300.0 | nM | 5.37 | 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 | 9 |
| 23981144 | 10.1021/jm400718n | No relevant target | 1 |
| 23981144 | 10.1021/jm400718n | Histone-lysine N-methyltransferase SETD7 | 1 |
| 23981144 | 10.1021/jm400718n | Protein arginine N-methyltransferase 1 | 1 |
| 23981144 | 10.1021/jm400718n | Klebsiella pneumoniae | 1 |
Data from ChEMBL 36 via Core Engine