Compound Detail
CHEMBL3968641
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O=C(CC1Oc2ccccc2-c2ccc3c(c21)C(=O)C(=O)N3Cc1ccc(C(F)(F)F)cc1)Nc1ccc(O)cc1
Basic Information
| ChEMBL ID | CHEMBL3968641 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVMYHKYCVITIMN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
558.5
MW (Da)
6.27
ALogP
5
HBA
2
HBD
95.9
PSA (Ų)
0.22
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.21 | 5.21 | 6200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6200.0 | nM | 5.21 | 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