Compound Detail
CHEMBL491479
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CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@@H](n1oc3ccc(Cl)cc3c1=O)[C@H](O)C(C)(C)O2
Basic Information
| ChEMBL ID | CHEMBL491479 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OINNSETUQQXMNK-UXHICEINSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
481.0
MW (Da)
3.40
ALogP
7
HBA
1
HBD
102.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-binding cassette sub-family C member 9 CHEMBL1971 | EC50 | 6.09 | 6.09 | 820.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.5 | 4.885 | 3190.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-binding cassette sub-family C member 9 | EC50 | = | 820.0 | nM | 6.09 | Channel opening activity at SUR2B/Kir6.2 potassium ATP channel in human TE671 ce... | 19101153 |
| Unchecked | EC50 | = | 3190.0 | nM | 5.5 | Channel opening activity at SUR2A/Kir6.2 potassium ATP channel in african green ... | 19101153 |
| Unchecked | EC50 | = | 53300.0 | nM | 4.27 | Channel opening activity at SUR1/Kir6.2 potassium ATP channel in mouse beta-TC6 ... | 19101153 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19101153 | 10.1016/j.bmc.2008.11.055 | Unchecked | 4 |
| 19101153 | 10.1016/j.bmc.2008.11.055 | ATP-binding cassette sub-family C member 9 | 2 |
Data from ChEMBL 36 via Core Engine