Compound Detail
CHEMBL4459537
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CCCCCCCCNCc1ccc(CNC(=O)c2csc3ncnc(OCc4ccc(N=[N+]=[N-])cc4)c23)cc1
Basic Information
| ChEMBL ID | CHEMBL4459537 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVBPKQOSJUJGBU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
557.7
MW (Da)
7.59
ALogP
7
HBA
2
HBD
124.9
PSA (Ų)
0.06
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| tRNA (guanine-N(1)-)-methyltransferase CHEMBL4523932 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| tRNA (guanine-N(1)-)-methyltransferase | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of Pseudomonas aeruginosa tRNA (guanine(37)-N1)-methyltransferase (Le... | 31442049 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31442049 | 10.1021/acs.jmedchem.9b00582 | tRNA (guanine-N(1)-)-methyltransferase | 2 |
Data from ChEMBL 36 via Core Engine