Compound Detail
CHEMBL105616
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Basic Information
| ChEMBL ID | CHEMBL105616 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDPMCFASTANMCB-HMXKFKBXSA-N |
| Parent Compound | CHEMBL1179951 |
| Active Moiety | CHEMBL1179951 |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
178.2
MW (Da)
0.21
ALogP
3
HBA
4
HBD
94.5
PSA (Ų)
0.30
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas.
Kd 1 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heme oxygenase CHEMBL1075209 | Kd | 5.04 | 5.04 | 9200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heme oxygenase | Kd | = | 9200.0 | nM | 5.04 | Binding affinity to Pseudomonas aeruginosa HemO by intrinsic fluorescence quench... | 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 |
| - | 10.1016/0960-894X(95)00541-5 | Trypanosoma cruzi | 1 |
| - | 10.1016/0960-894X(95)00541-5 | Mus musculus | 1 |
| 27353344 | 10.1021/acs.jmedchem.6b00757 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine