Compound Detail
CHEMBL1269790
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CN(C)c1cccc2c(S(=O)(=O)NCCCCCS(=O)(=O)NCCCC/N=C3\SC[C@@H]4[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)N34)cccc12
Basic Information
| ChEMBL ID | CHEMBL1269790 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLUVSQKLDZJHPX-NWMQCFCVSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
673.9
MW (Da)
0.24
ALogP
11
HBA
6
HBD
192.1
PSA (Ų)
0.14
QED
3
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.75 | 6.525 | 180.0 | 2 |
| Glucosylceramidase CHEMBL1275219 | Ki | 4.5 | 4.5 | 32000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 180.0 | nM | 6.75 | Inhibition of Penicillium decumbens naringinase after 10 to 30 mins | 20889348 |
| Unchecked | Ki | = | 500.0 | nM | 6.3 | Inhibition of almond beta-glucosidase at pH 7.3 after 10 to 30 mins | 20889348 |
| Glucosylceramidase | Ki | = | 32000.0 | nM | 4.5 | Inhibition of bovine liver beta-glucosidase after 10 to 30 mins | 20889348 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20889348 | 10.1016/j.bmc.2010.09.003 | Unchecked | 5 |
| 20889348 | 10.1016/j.bmc.2010.09.003 | Oligo-1,6-glucosidase IMA1 | 2 |
| 20889348 | 10.1016/j.bmc.2010.09.003 | Glucosylceramidase | 1 |
| 20889348 | 10.1016/j.bmc.2010.09.003 | Uncharacterized protein | 1 |
| 20889348 | 10.1016/j.bmc.2010.09.003 | Alpha-galactosidase | 1 |
Data from ChEMBL 36 via Core Engine