Compound Detail
CHEMBL5279500
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Basic Information
| ChEMBL ID | CHEMBL5279500 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OIDJYBOWCQAHTA-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
395.5
MW (Da)
6.53
ALogP
3
HBA
2
HBD
50.9
PSA (Ų)
0.38
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Molecular identity unknown CHEMBL612546 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
| Pseudomonas aeruginosa CHEMBL348 | IC50 | 4.2 | 4.2 | 63000.0 | 1 |
| Serratia marcescens CHEMBL614593 | IC50 | 4.2 | 4.2 | 63000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Molecular identity unknown | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of quorum sensing system in Pseudomonas aeruginosa PA14 assessed as i... | 37866335 |
| Serratia marcescens | IC50 | = | 63000.0 | nM | 4.2 | Antibiofilm activity against Serratia marcescens ATCC 27117 assessed as inhibiti... | 34626877 |
| Pseudomonas aeruginosa | IC50 | = | 63000.0 | nM | 4.2 | Antibiofilm activity against Pseudomonas aeruginosa PAO1 NCTC 10332 assessed as ... | 34626877 |
| Serratia marcescens | IC50 | = | 63000.0 | nM | 4.2 | Antibiofilm activity against Serratia marcescens assessed as reduction in biofil... | 37866335 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34626877 | 10.1016/j.ejmech.2021.113864 | Serratia marcescens | 1 |
| 34626877 | 10.1016/j.ejmech.2021.113864 | Pseudomonas aeruginosa | 1 |
| 37866335 | 10.1016/j.ejmech.2023.115867 | Molecular identity unknown | 1 |
| 37866335 | 10.1016/j.ejmech.2023.115867 | Serratia marcescens | 1 |
| 37866335 | 10.1016/j.ejmech.2023.115867 | Pseudomonas aeruginosa | 1 |
Data from ChEMBL 36 via Core Engine