Compound Detail
CHEMBL3889940
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Basic Information
| ChEMBL ID | CHEMBL3889940 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWHMHPOOPIAWTE-DYMYMWKRSA-N |
| Parent Compound | CHEMBL3769719 |
| Active Moiety | CHEMBL3769719 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
2.08
ALogP
3
HBA
3
HBD
83.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 4.46 | 4.46 | 34300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 34300.0 | nM | 4.46 | Inhibition of Pseudomonas aeruginosa HemO mutant expressed in Escherichia coli B... | 27353344 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27353344 | 10.1021/acs.jmedchem.6b00757 | Pseudomonas aeruginosa | 6 |
| 27353344 | 10.1021/acs.jmedchem.6b00757 | Heme oxygenase | 2 |
| 27353344 | 10.1021/acs.jmedchem.6b00757 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine