Compound Detail
CHEMBL200485
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Basic Information
| ChEMBL ID | CHEMBL200485 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQQGVWUAXRLELD-LREOWRDNSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
255.3
MW (Da)
2.58
ALogP
4
HBA
3
HBD
83.5
PSA (Ų)
0.34
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.21 | 4.21 | 62100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 62100.0 | nM | 4.21 | Inhibitory activity against baker's yeast alpha glucosidase | 16202584 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21227704 | 10.1016/j.bmc.2010.12.031 | CCRF-CEM | 2 |
| 21227704 | 10.1016/j.bmc.2010.12.031 | Human immunodeficiency virus 1 | 2 |
| 16202584 | 10.1016/j.bmcl.2005.08.087 | Unchecked | 1 |
| 16202584 | 10.1016/j.bmcl.2005.08.087 | Alpha-amylase | 1 |
| 16202584 | 10.1016/j.bmcl.2005.08.087 | Beta-amylase | 1 |
| 21227704 | 10.1016/j.bmc.2010.12.031 | ADMET | 1 |
| 21227704 | 10.1016/j.bmc.2010.12.031 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine