Compound Detail
CHEMBL5219130
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CC1=C(C)C(=O)C(CCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)=CC1=O.[Br-]
Basic Information
| ChEMBL ID | CHEMBL5219130 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYHFWTRUGAFNKW-UHFFFAOYSA-M |
| Parent Compound | CHEMBL4303517 |
| Active Moiety | CHEMBL4303517 |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
537.7
MW (Da)
7.91
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.12
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.33 | 5.1 | 4640.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4640.0 | nM | 5.33 | Inhibition of Pseudomonas aeruginosa RuvA/RuvB protein complex helicase activity... | 36155320 |
| Unchecked | IC50 | = | 7900.0 | nM | 5.1 | Inhibition of Thermus thermophilus RuvA/RuvB protein complex helicase activity e... | 36155320 |
| Unchecked | IC50 | = | 13460.0 | nM | 4.87 | Inhibition of Bacillus subtilis RuvA/RuvB protein complex helicase activity expr... | 36155320 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36155320 | 10.1016/j.bmc.2022.117022 | Unchecked | 6 |
| 36155320 | 10.1016/j.bmc.2022.117022 | Pseudomonas aeruginosa | 2 |
Data from ChEMBL 36 via Core Engine