Compound Detail
CHEMBL4177311
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Basic Information
| ChEMBL ID | CHEMBL4177311 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COJOFBHCEVGHAR-UHFFFAOYSA-N |
1
Targets
3
Activities
3
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
435.4
MW (Da)
3.05
ALogP
8
HBA
1
HBD
87.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Kd 1 meas. best 7.4
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| rRNA adenine N-6-methyltransferase CHEMBL4295568 | Kd | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| rRNA adenine N-6-methyltransferase | Kd | = | 40.0 | nM | 7.4 | Inhibition of bacterial C-terminal His6-tagged ErmC' expressed in Escherichia co... | 29396363 |
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 | Escherichia coli | 1 |
| 29396363 | 10.1016/j.ejmech.2017.11.032 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine