Compound Detail
CHEMBL529210
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Basic Information
| ChEMBL ID | CHEMBL529210 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOFNVZWWIXXTMZ-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
258.3
MW (Da)
2.99
ALogP
4
HBA
0
HBD
48.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.8
IC50 2 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 6.02 | 6.02 | 960.0 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 5.8 | 5.8 | 1577.6 | 3 |
| Mesenteric artery CHEMBL4296533 | EC50 | 5.8 | 5.8 | 1580.0 | 1 |
| Leishmania amazonensis CHEMBL612877 | IC50 | 4.16 | 4.16 | 70000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 960.0 | nM | 6.02 | Inhibition of human PDE4D2 catalytic domain (86 to 413aa) expressed in Escherich... | 24597921 |
| Mesenteric artery | EC50 | = | 1580.0 | nM | 5.8 | Vasodilating activity in Wistar rat endothelium intact main mesenteric artery as... | 31711783 |
| Rattus norvegicus | EC50 | = | 1580.0 | nM | 5.8 | Vasorelaxant activity in rat endothelium-intact rat main mesenteric artery asses... | 37149230 |
| Rattus norvegicus | EC50 | = | 1577.61 | nM | 5.8 | Vasorelaxant activity in U46619-induced preconstricted rat endothelium-intact ma... | 37149230 |
| Rattus norvegicus | EC50 | = | 1580.0 | nM | 5.8 | Vasorelaxant activity in U46619-induced preconstricted rat endothelium-intact ma... | 37149230 |
| Leishmania amazonensis | IC50 | = | 70000.0 | nM | 4.16 | Antileishmanial activity against promastigote form of Leishmania amazonensis ass... | 32668302 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31711783 | 10.1016/j.bmcl.2019.126759 | Mesenteric artery | 11 |
| 11076549 | 10.1021/np0000318 | Unchecked | 4 |
| 11076549 | 10.1021/np0000318 | Raji | 4 |
| 37149230 | 10.1016/j.bmcl.2023.129311 | Rattus norvegicus | 4 |
| 32668302 | 10.1016/j.ejmech.2020.112514 | Leishmania amazonensis | 2 |
| 37149230 | 10.1016/j.bmcl.2023.129311 | BV-2 | 2 |
| 37149230 | 10.1016/j.bmcl.2023.129311 | Unchecked | 2 |
| 24597921 | 10.1021/np401040d | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
Data from ChEMBL 36 via Core Engine