Compound Detail
CHEMBL3943112
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Basic Information
| ChEMBL ID | CHEMBL3943112 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DIIYANYDYYJPEY-CAOOACKPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
281.3
MW (Da)
3.05
ALogP
6
HBA
1
HBD
63.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 4.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Biliverdin-producing heme oxygenase CHEMBL3988622 | Kd | 4.81 | 4.81 | 15600.0 | 1 |
| Heme oxygenase CHEMBL1075209 | Kd | 4.68 | 4.68 | 20900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Biliverdin-producing heme oxygenase | Kd | = | 15600.0 | nM | 4.81 | Binding affinity to Neisseria meningitidis wild type apo heme oxygenase expresse... | - |
| Heme oxygenase | Kd | = | 20900.0 | nM | 4.68 | Binding affinity to Pseudomonas aeruginosa MPAO1 wild type apo heme oxygenase by... | - |
Data from ChEMBL 36 via Core Engine