Compound Detail
CHEMBL502057
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 | CHEMBL502057 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHXVYTQDWMQVBI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
1
Known Names
Molecular Properties
162.2
MW (Da)
1.26
ALogP
2
HBA
2
HBD
66.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.01 | 5.01 | 9650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 9650.0 | nM | 5.01 | Inhibition of NOS in Sprague-Dawley rat brain by oxyhaemoglobin assay | 18805011 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18805011 | 10.1016/j.bmc.2008.08.049 | Unchecked | 2 |
| 29551481 | 10.1016/j.bmcl.2018.03.002 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine