Compound Detail
CHEMBL1970585
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Basic Information
| ChEMBL ID | CHEMBL1970585 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMZYDQKKDNXWKW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
220.2
MW (Da)
-1.32
ALogP
5
HBA
2
HBD
93.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 4.41 | 4.41 | 38644.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.29 | 4.29 | 51578.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 38644.0 | nM | 4.41 | PubChem BioAssay. Counterscreen for inhibitors of RecBCD: Absorbance-based cell-... | - |
| Unchecked | IC50 | = | 51578.0 | nM | 4.29 | PubChem BioAssay. Absorbance-based bacterial cell-based high throughput dose res... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4296182 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4296182 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4296182 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4296182 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4296182 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4296182 | Staphylococcus aureus | 1 |
| - | 10.6019/CHEMBL4296182 | HEK293 | 1 |
| - | 10.6019/CHEMBL4296182 | Cryptococcus neoformans | 1 |
Data from ChEMBL 36 via Core Engine