Compound Detail
CHEMBL36471
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 | CHEMBL36471 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UTUUPXBCDMQYRR-QHCPKHFHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
373.5
MW (Da)
5.79
ALogP
3
HBA
0
HBD
31.4
PSA (Ų)
0.53
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254 | IC50 | 6.83 | 6.83 | 148.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 4.56 | 4.56 | 27600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4A | IC50 | = | 148.0 | nM | 6.83 | Inhibition of human recombinant phosphodiesterase 4A | 12031318 |
| Homo sapiens | IC50 | = | 27600.0 | nM | 4.56 | Inhibition of LPS-stimulated TNF-alpha production in human whole blood | 12031318 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 4 |
| - | 10.6019/CHEMBL4651402 | Vero C1008 | 2 |
| 12031318 | 10.1016/s0960-894x(02)00202-0 | 3',5'-cyclic-AMP phosphodiesterase 4A | 1 |
| 12031318 | 10.1016/s0960-894x(02)00202-0 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine