Compound Detail
CHEMBL4529354
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Basic Information
| ChEMBL ID | CHEMBL4529354 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJWMJOBCFRELRJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
395.4
MW (Da)
3.23
ALogP
7
HBA
3
HBD
123.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL4567 | IC50 | 6.94 | 6.94 | 116.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.57 | 4.57 | 26920.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 116.0 | nM | 6.94 | Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins b... | 30509781 |
| Unchecked | IC50 | = | 190.0 | nM | 6.72 | Inhibition of histone activated chicken PDE6 using [3H]cGMP as substrate measure... | 30509781 |
| A549 | IC50 | = | 26920.0 | nM | 4.57 | Cytotoxicity against human A549 cells after 72 hrs by MTT assay | 30509781 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30509781 | 10.1016/j.bmcl.2018.11.043 | Unchecked | 3 |
| 30509781 | 10.1016/j.bmcl.2018.11.043 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 30509781 | 10.1016/j.bmcl.2018.11.043 | No relevant target | 1 |
| 30509781 | 10.1016/j.bmcl.2018.11.043 | Artery | 1 |
| 30509781 | 10.1016/j.bmcl.2018.11.043 | A549 | 1 |
Data from ChEMBL 36 via Core Engine