Compound Detail
CHEMBL4280451
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CCCCCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(Br)s3)N2C1=O
Basic Information
| ChEMBL ID | CHEMBL4280451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANOGWUSBQLZOFZ-OXJNMPFZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
472.4
MW (Da)
5.46
ALogP
3
HBA
1
HBD
56.4
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 170.0 | nM | 6.77 | Inhibition of PDE5 (unknown origin) | 30245400 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30245400 | 10.1016/j.ejmech.2018.09.028 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine