Compound Detail
CHEMBL93404
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Basic Information
| ChEMBL ID | CHEMBL93404 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NILFFAXTWMCOJH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
291.7
MW (Da)
3.30
ALogP
3
HBA
1
HBD
59.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GH3 CHEMBL614571 | EC50 | 5.48 | 5.48 | 3300.0 | 1 |
| Cavia porcellus CHEMBL369 | EC50 | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GH3 | EC50 | = | 3300.0 | nM | 5.48 | Tested for the increase in [Ca2+] uptake into rat pituitary growth hormone3 (GH3... | 7692047 |
| Cavia porcellus | EC50 | = | 14000.0 | nM | 4.85 | Tested for the force increase in guinea pig atria | 7692047 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8151623 | 10.1021/jm00033a014 | No relevant target | 1 |
| 8151623 | 10.1021/jm00033a014 | ADMET | 1 |
| 8151623 | 10.1021/jm00033a014 | Cavia porcellus | 1 |
| 7692047 | 10.1021/jm00071a004 | GH3 | 1 |
| 7692047 | 10.1021/jm00071a004 | Cavia porcellus | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine