Compound Detail
CHEMBL4446167
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O=C(CCCCCNC(=O)c1cc(=O)c(O)cn1O)NCc1ccc(CNC(=O)c2csc3nc[nH]c(=O)c23)cc1
Basic Information
| ChEMBL ID | CHEMBL4446167 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUFOMMQJIVWSPK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
580.6
MW (Da)
1.63
ALogP
10
HBA
6
HBD
195.5
PSA (Ų)
0.11
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| tRNA (guanine-N(1)-)-methyltransferase CHEMBL4523932 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| tRNA (guanine-N(1)-)-methyltransferase | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of Pseudomonas aeruginosa tRNA (guanine(37)-N1)-methyltransferase (Le... | 31442049 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31442049 | 10.1021/acs.jmedchem.9b00582 | Staphylococcus aureus | 2 |
| 31442049 | 10.1021/acs.jmedchem.9b00582 | Enterococcus faecalis | 2 |
| 31442049 | 10.1021/acs.jmedchem.9b00582 | Streptococcus pneumoniae | 2 |
| 31442049 | 10.1021/acs.jmedchem.9b00582 | tRNA (guanine-N(1)-)-methyltransferase | 1 |
| 31442049 | 10.1021/acs.jmedchem.9b00582 | Mycolicibacterium smegmatis | 1 |
| 31442049 | 10.1021/acs.jmedchem.9b00582 | Mycobacterium tuberculosis | 1 |
| 31442049 | 10.1021/acs.jmedchem.9b00582 | Erythrocyte | 1 |
| 31442049 | 10.1021/acs.jmedchem.9b00582 | Pseudomonas aeruginosa | 1 |
| 31442049 | 10.1021/acs.jmedchem.9b00582 | Acinetobacter baumannii | 1 |
| 31442049 | 10.1021/acs.jmedchem.9b00582 | Klebsiella pneumoniae | 1 |
| 31442049 | 10.1021/acs.jmedchem.9b00582 | Salmonella enteritidis | 1 |
| 31442049 | 10.1021/acs.jmedchem.9b00582 | Escherichia coli | 1 |
Data from ChEMBL 36 via Core Engine