Compound Detail
CHEMBL4172068
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Basic Information
| ChEMBL ID | CHEMBL4172068 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXAKZFNPCBAXPR-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
341.3
MW (Da)
1.08
ALogP
4
HBA
2
HBD
85.1
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.0
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| rRNA adenine N-6-methyltransferase CHEMBL4251 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
| rRNA adenine N-6-methyltransferase CHEMBL4295568 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| rRNA adenine N-6-methyltransferase | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of bacterial C-terminal His6-tagged ErmC' (unknown origin) expressed ... | 29396363 |
| rRNA adenine N-6-methyltransferase | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of Bacillus subtilis ErmC' methyltransferase | 37122541 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29396363 | 10.1016/j.ejmech.2017.11.032 | rRNA adenine N-6-methyltransferase | 4 |
| 29396363 | 10.1016/j.ejmech.2017.11.032 | HEK293 | 2 |
| 29396363 | 10.1016/j.ejmech.2017.11.032 | Escherichia coli | 1 |
| 37122541 | 10.1039/d2md00459c | rRNA adenine N-6-methyltransferase | 1 |
Data from ChEMBL 36 via Core Engine