Compound Detail
CHEMBL68727
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 | CHEMBL68727 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKXQUNNSKMWIKJ-DGCLKSJQSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
262.3
MW (Da)
1.36
ALogP
5
HBA
2
HBD
79.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 4.04 | 4.04 | 91000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 91000.0 | nM | 4.04 | Inhibitory activity against LPS-induced NO production in mouse peritoneal macrop... | 9873511 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873511 | 10.1016/s0960-894x(98)00391-6 | Rattus norvegicus | 2 |
| 7525962 | 10.1021/jm00049a014 | Human immunodeficiency virus 1 | 2 |
| 25891102 | 10.1016/j.bmcl.2015.04.003 | Tyrosine-protein phosphatase non-receptor type 1 | 2 |
| 9873511 | 10.1016/s0960-894x(98)00391-6 | Mus musculus | 1 |
| 12088423 | 10.1021/np010448t | Amaranthus hypochondriacus | 1 |
| 12088423 | 10.1021/np010448t | Echinochloa crus-galli | 1 |
Data from ChEMBL 36 via Core Engine