Compound Detail
CHEMBL3948978
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CN1C(=O)C(=O)c2c1ccc1c2C(CC(=O)Nc2ccc(-c3ccc(N)cc3)cc2)Nc2ccccc2-1
Basic Information
| ChEMBL ID | CHEMBL3948978 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DPHCHVUBPDHWEN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
488.6
MW (Da)
5.26
ALogP
5
HBA
3
HBD
104.5
PSA (Ų)
0.27
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.08 | 5.08 | 8400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 8400.0 | nM | 5.08 | Inhibition of Baker's yeast alpha-glucosidase using pNGP as substrate after 30 m... | 27487567 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27487567 | 10.1016/j.ejmech.2016.07.044 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine