Compound Detail
CHEMBL175987
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Basic Information
| ChEMBL ID | CHEMBL175987 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPQHDOLBQQVPMG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
381.4
MW (Da)
4.38
ALogP
5
HBA
1
HBD
58.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL4567 | Ki | 9.19 | 9.19 | 0.7 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 38.0 | % | Rattus norvegicus |
| F | 38.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | Ki | = | 0.65 | nM | 9.19 | Inhibition of phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells | 15771456 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15771456 | 10.1021/jm0401098 | Unchecked | 6 |
| 15771456 | 10.1021/jm0401098 | cGMP-specific 3',5'-cyclic phosphodiesterase | 2 |
| 15771456 | 10.1021/jm0401098 | Rattus norvegicus | 1 |
| 15771456 | 10.1021/jm0401098 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine