Compound Detail
CHEMBL7868
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 | CHEMBL7868 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJAQIMZSDVLFQH-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
4
PK Parameters
9
Publications
0
Known Names
Molecular Properties
450.9
MW (Da)
4.05
ALogP
7
HBA
2
HBD
94.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.1
EC50 1 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 9.1 | 9.1 | 0.8 | 2 |
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | EC50 | 7.36 | 7.36 | 44.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 33.0 | % | Rattus norvegicus |
| F | 66.0 | % | Canis lupus familiaris |
| T1/2 | 1.2 | hr | Rattus norvegicus |
| T1/2 | 2.3 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 0.8 | nM | 9.1 | Inhibition of Phosphodiesterase 5 from human platelets | 12570368 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 0.8 | nM | 9.1 | Inhibition of PDE5 of human platelets | 11297448 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | EC50 | = | 44.0 | nM | 7.36 | Relaxant effect on rabbit corpus cavernosal tissue strips | 11297448 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12570368 | 10.1021/jm0256068 | Unchecked | 4 |
| 11297448 | 10.1021/jm0155042 | Unchecked | 4 |
| 11297448 | 10.1021/jm0155042 | cGMP-specific 3',5'-cyclic phosphodiesterase | 2 |
| 11297448 | 10.1021/jm0155042 | ADMET | 2 |
| 12570368 | 10.1021/jm0256068 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 12570368 | 10.1021/jm0256068 | Phosphodiesterase 3 and 5 (PDE3 and PDE5) | 1 |
| 11297448 | 10.1021/jm0155042 | Phosphodiesterase 3 and 5 (PDE3 and PDE5) | 1 |
| 11297448 | 10.1021/jm0155042 | Rattus norvegicus | 1 |
| 11297448 | 10.1021/jm0155042 | Canis familiaris | 1 |
Data from ChEMBL 36 via Core Engine