Compound Detail
CHEMBL333598
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Basic Information
| ChEMBL ID | CHEMBL333598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICOLXOYUPMGSGZ-VMPITWQZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
271.3
MW (Da)
2.17
ALogP
3
HBA
2
HBD
70.6
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 6.06 | 6.06 | 870.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 3 | IC50 | = | 870.0 | nM | 6.06 | Inhibition of Phosphodiesterase 3 from human platelets at 1E-7-1E-4M or 1.0E-6 t... | 2536438 |
| Unchecked | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of phosphodiesterase 3 from guinea pig cardiac tissue at 1E-7-1E-4M o... | 2536438 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2536438 | 10.1021/jm00122a011 | Phosphodiesterase 3 | 2 |
| 2536438 | 10.1021/jm00122a011 | Canis familiaris | 1 |
| 2536438 | 10.1021/jm00122a011 | No relevant target | 1 |
| 2536438 | 10.1021/jm00122a011 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine