Compound Detail
CHEMBL2431996
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Basic Information
| ChEMBL ID | CHEMBL2431996 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKPGIPAOSZELSB-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
1.87
ALogP
6
HBA
3
HBD
98.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.36 | 5.7967 | 440.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 440.0 | nM | 6.36 | Inhibition of Escherichia coli TrmD using S-[methyl-3H] adenosyl-L-methionine as... | 23981144 |
| Unchecked | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of Haemophilus influenzae TrmD using S-[methyl-3H] adenosyl-L-methion... | 23981144 |
| Unchecked | IC50 | = | 7300.0 | nM | 5.14 | 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 | 5 |
| 23981144 | 10.1021/jm400718n | Histone-lysine N-methyltransferase SETD7 | 1 |
| 23981144 | 10.1021/jm400718n | Protein arginine N-methyltransferase 1 | 1 |
Data from ChEMBL 36 via Core Engine