Compound Detail
CHEMBL229509
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 | CHEMBL229509 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNKLCRIFLSAYAM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
390.4
MW (Da)
3.46
ALogP
8
HBA
0
HBD
73.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.81 | 4.81 | 15500.0 | 1 |
| Nitric oxide synthase, inducible CHEMBL3464 | IC50 | 4.79 | 4.79 | 16200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 15500.0 | nM | 4.81 | Inhibition of NOX in fMLP-induced PMN cells assessed as NO production | 21115251 |
| Nitric oxide synthase, inducible | IC50 | = | 16200.0 | nM | 4.79 | Inhibition of iNOS in mouse BV2 microglial cells assessed as NO production | 21115251 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21115251 | 10.1016/j.bmc.2010.10.032 | Unchecked | 2 |
| 17559265 | 10.1021/np070045e | Neutrophil | 1 |
| 21115251 | 10.1016/j.bmc.2010.10.032 | Nitric oxide synthase, inducible | 1 |
| 21115251 | 10.1016/j.bmc.2010.10.032 | Daoy | 1 |
| 21115251 | 10.1016/j.bmc.2010.10.032 | HEp-2 | 1 |
| 21115251 | 10.1016/j.bmc.2010.10.032 | MCF7 | 1 |
| 21115251 | 10.1016/j.bmc.2010.10.032 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine