Compound Detail
CHEMBL1277240
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Cl.OC[C@@H]1[C@@H](O)[C@H](O)CN1C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO
Basic Information
| ChEMBL ID | CHEMBL1277240 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IALIACQFLOZKKD-IAZAGACHSA-N |
| Parent Compound | CHEMBL1616022 |
| Active Moiety | CHEMBL1616022 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
327.3
MW (Da)
-5.82
ALogP
10
HBA
9
HBD
185.3
PSA (Ų)
0.21
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Maltase-glucoamylase CHEMBL2074 | Ki | 7.22 | 7.22 | 60.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Maltase-glucoamylase | Ki | = | 60.0 | nM | 7.22 | Inhibition of human recombinant N-terminal subunit of maltase-glucoamylase after... | 20970346 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20970346 | 10.1016/j.bmc.2010.09.059 | Maltase-glucoamylase | 1 |
Data from ChEMBL 36 via Core Engine