Compound Detail
CHEMBL340522
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Nc1nc(NC2Cc3ccccc3C2)nc(N2CCC(C(=O)NCCc3c[nH]c4ccccc34)CC2)n1
Basic Information
| ChEMBL ID | CHEMBL340522 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZLGMLXUNZJUGAG-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
496.6
MW (Da)
3.09
ALogP
7
HBA
4
HBD
124.8
PSA (Ų)
0.31
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| rRNA adenine N-6-methyltransferase CHEMBL2757 | Ki | 5.7 | 5.7 | 2000.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.7 | 5.7 | 2000.0 | 1 |
| rRNA adenine N-6-methyltransferase CHEMBL4251 | Ki | 4.7 | 4.7 | 20000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| rRNA adenine N-6-methyltransferase | Ki | = | 2000.0 | nM | 5.7 | Inhibitory activity against ErmAM methylase | 10508434 |
| Unchecked | Ki | = | 2000.0 | nM | 5.7 | Binding affinity to Enterococcus faecalis ErmAM methyltransferase assessed as in... | 37122541 |
| rRNA adenine N-6-methyltransferase | Ki | = | 20000.0 | nM | 4.7 | Inhibitory activity against ErmC methylase | 10508434 |
| rRNA adenine N-6-methyltransferase | Ki | = | 20000.0 | nM | 4.7 | Binding affinity to Bacillus subtilis ErmC' methyltransferase assessed as inhibi... | 37122541 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10508434 | 10.1021/jm990293a | rRNA adenine N-6-methyltransferase | 2 |
| 37122541 | 10.1039/d2md00459c | Unchecked | 1 |
| 37122541 | 10.1039/d2md00459c | rRNA adenine N-6-methyltransferase | 1 |
Data from ChEMBL 36 via Core Engine