Compound Detail
CHEMBL3915609
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3915609 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTUSZAVSEQSIOX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
299.3
MW (Da)
2.64
ALogP
3
HBA
3
HBD
103.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 4.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Biliverdin-producing heme oxygenase CHEMBL3988622 | Kd | 4.54 | 4.54 | 28800.0 | 1 |
| Heme oxygenase CHEMBL1075209 | Kd | 4.14 | 4.14 | 72800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Biliverdin-producing heme oxygenase | Kd | = | 28800.0 | nM | 4.54 | Binding affinity to Neisseria meningitidis wild type apo heme oxygenase expresse... | - |
| Heme oxygenase | Kd | = | 72800.0 | nM | 4.14 | Binding affinity to Pseudomonas aeruginosa MPAO1 wild type apo heme oxygenase by... | - |
Data from ChEMBL 36 via Core Engine