Compound Detail
CHEMBL313066
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 | CHEMBL313066 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVCAQTKUOJSAJM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
3.46
ALogP
5
HBA
1
HBD
64.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator CHEMBL3992 | Kd | 4.21 | 4.21 | 61000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator | Kd | = | 61000.0 | nM | 4.21 | Kd (half effective concentration) of compound against CFTR (cystic fibrosis tran... | 12852954 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12852954 | 10.1016/s0960-894x(03)00482-7 | Cystic fibrosis transmembrane conductance regulator | 3 |
Data from ChEMBL 36 via Core Engine