Compound Detail
CHEMBL1232371
NEOKOTALANOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1232371 |
| Name | NEOKOTALANOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWOANRNVWBCYDC-RRTSSKPOSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
-5.50
ALogP
9
HBA
9
HBD
182.1
PSA (Ų)
0.19
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sucrase-isomaltase, intestinal CHEMBL3114 | IC50 | 5.75 | 5.55 | 1800.0 | 2 |
| Acidic alpha-glucosidase CHEMBL3513 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sucrase-isomaltase, intestinal | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of rat intestinal isomaltase | 21345683 |
| Sucrase-isomaltase, intestinal | IC50 | = | 4500.0 | nM | 5.35 | Inhibition of rat intestinal sucrase | 21345683 |
| Acidic alpha-glucosidase | IC50 | = | 4800.0 | nM | 5.32 | Inhibition of rat intestinal maltase | 21345683 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21345683 | 10.1016/j.bmc.2011.01.052 | Sucrase-isomaltase, intestinal | 2 |
| 21345683 | 10.1016/j.bmc.2011.01.052 | Acidic alpha-glucosidase | 1 |
Data from ChEMBL 36 via Core Engine