Compound Detail
CHEMBL4451317
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N#Cc1ccc2[nH]cc(C(c3ccc(-c4nnc(-c5c[nH]c6ccccc56)o4)cc3)c3c[nH]c4ccc(C#N)cc34)c2c1
Basic Information
| ChEMBL ID | CHEMBL4451317 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMXKFLSXWQSXQJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
555.6
MW (Da)
7.77
ALogP
5
HBA
3
HBD
133.9
PSA (Ų)
0.20
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha glucosidase CHEMBL3833502 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha glucosidase | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of alpha-glucosidase (unknown origin) | 31112894 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31112894 | 10.1016/j.ejmech.2019.04.025 | Alpha glucosidase | 1 |
Data from ChEMBL 36 via Core Engine