Compound Detail
CHEMBL339539
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Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4sc5ccccc5c4Cl)cn3C)cn2C)cc1C(=O)NCCN1CCOCC1
Basic Information
| ChEMBL ID | CHEMBL339539 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCQPTFKRJMCISS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
648.2
MW (Da)
4.80
ALogP
9
HBA
3
HBD
114.6
PSA (Ų)
0.21
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleic Acid CHEMBL345 | Kd | 9.7 | 9.7 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleic Acid | Kd | = | 0.2 | nM | 9.7 | Apparent binding affinity against DNA (5'-ACAATTAA-3') was determined using DNas... | 12930152 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12930152 | 10.1021/jm030097a | Enterococcus faecalis | 2 |
| 12930152 | 10.1021/jm030097a | Unchecked | 2 |
| 12930152 | 10.1021/jm030097a | Staphylococcus aureus | 1 |
| 12930152 | 10.1021/jm030097a | Nucleic Acid | 1 |
| 12930152 | 10.1021/jm030097a | Bacillus cereus | 1 |
| 12930152 | 10.1021/jm030097a | Candida albicans | 1 |
| 12930152 | 10.1021/jm030097a | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine