Compound Detail
CHEMBL331440
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Basic Information
| ChEMBL ID | CHEMBL331440 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSRGELFOTQPLFO-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
2.02
ALogP
6
HBA
2
HBD
80.0
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| rRNA adenine N-6-methyltransferase CHEMBL2757 | Ki | 5.1 | 5.1 | 8000.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.1 | 5.1 | 8000.0 | 2 |
| rRNA adenine N-6-methyltransferase CHEMBL4251 | Ki | 4.12 | 4.12 | 75000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 8000.0 | nM | 5.1 | Binding affinity against Erythromycin-Resistance Methylase AM | 15214773 |
| rRNA adenine N-6-methyltransferase | Ki | = | 8000.0 | nM | 5.1 | Inhibitory activity against ErmAM methylase | 10508434 |
| Unchecked | Ki | = | 8000.0 | nM | 5.1 | The compound was tested for its binding ability to inhibit ErmAM methylase | 10743942 |
| rRNA adenine N-6-methyltransferase | Ki | = | 75000.0 | nM | 4.12 | Inhibitory activity against ErmC methylase | 10508434 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10508434 | 10.1021/jm990293a | rRNA adenine N-6-methyltransferase | 2 |
| 15214773 | 10.1021/jm040031v | Unchecked | 1 |
| 10743942 | 10.1016/s0960-894x(00)00021-4 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine