Compound Detail
CHEMBL187043
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Basic Information
| ChEMBL ID | CHEMBL187043 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RVOUOPDWADMVBA-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
260.2
MW (Da)
1.77
ALogP
6
HBA
4
HBD
111.1
PSA (Ų)
0.36
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Maltase-glucoamylase CHEMBL2074 | IC50 | 5.15 | 5.145 | 7090.0 | 2 |
| Alpha glucosidase CHEMBL3833502 | IC50 | 4.63 | 4.63 | 23200.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Maltase-glucoamylase | IC50 | = | 7090.0 | nM | 5.15 | Inhibition of alpha-glucosidase (unknown origin) using PNPG as substrate preincu... | 30282319 |
| Maltase-glucoamylase | IC50 | = | 7300.0 | nM | 5.14 | Inhibition of alpha-glucosidase (unknown origin) using PNPG as substrate preincu... | 30282319 |
| Alpha glucosidase | IC50 | = | 23200.0 | nM | 4.63 | Inhibition of alpha-glucosidase (unknown origin) using PNPG as substrate incubat... | 30282319 |
| Amine oxidase [flavin-containing] A | IC50 | = | 24000.0 | nM | 4.62 | Concentration required to inhibit monoamine oxidase activity by 50% | 15482934 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30282319 | 10.1016/j.ejmech.2018.07.073 | Maltase-glucoamylase | 2 |
| 15482934 | 10.1016/j.bmcl.2004.08.066 | Amine oxidase [flavin-containing] A | 1 |
| 30282319 | 10.1016/j.ejmech.2018.07.073 | Alpha glucosidase | 1 |
Data from ChEMBL 36 via Core Engine