Compound Detail
CHEMBL33021
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Basic Information
| ChEMBL ID | CHEMBL33021 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXZRMELKVREISO-HSZRJFAPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
431.5
MW (Da)
5.28
ALogP
4
HBA
2
HBD
86.5
PSA (Ų)
0.51
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4A | IC50 | = | 22.0 | nM | 7.66 | Inhibition of human recombinant phosphodiesterase 4A | 12031318 |
| Homo sapiens | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of LPS-stimulated TNF-alpha production in human whole blood | 12031318 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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