Compound Detail
CHEMBL81938
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Basic Information
| ChEMBL ID | CHEMBL81938 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKCBXAWKAWNCPW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
331.8
MW (Da)
4.01
ALogP
4
HBA
0
HBD
40.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator CHEMBL3992 | Kd | 4.23 | 4.23 | 59000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cystic fibrosis transmembrane conductance regulator | Kd | = | 59000.0 | nM | 4.23 | 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