Compound Detail
CHEMBL75692
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Basic Information
| ChEMBL ID | CHEMBL75692 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDPFDCKOZZRBLM-HKDNBPCZSA-M |
| Parent Compound | CHEMBL1205282 |
| Active Moiety | CHEMBL1205282 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
386.4
MW (Da)
3.10
ALogP
4
HBA
3
HBD
87.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 8.64 | 8.355 | 2.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 2.3 | nM | 8.64 | Tested for effect to cause relaxation of renal mesenteric artery previously cont... | 6988588 |
| Unchecked | EC50 | = | 8.5 | nM | 8.07 | Tested for effect to cause relaxation of bovine coronary artery | 6988588 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6988588 | 10.1021/jm00177a003 | Unchecked | 2 |
| 6988588 | 10.1021/jm00177a003 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine