Compound Detail
CHEMBL3330880
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COc1cc(NC(C)=O)c(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1
Basic Information
| ChEMBL ID | CHEMBL3330880 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNMZZVWNCZRXPV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
551.1
MW (Da)
3.60
ALogP
6
HBA
4
HBD
142.7
PSA (Ų)
0.38
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 9.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-binding cassette sub-family C member 8 CHEMBL2071 | Kd | 9.42 | 9.42 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-binding cassette sub-family C member 8 | Kd | = | 0.38 | nM | 9.42 | Binding affinity to SUR1 (unknown origin) | 25203779 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25203779 | 10.1016/j.ejmech.2014.09.007 | ATP-binding cassette sub-family C member 8 | 1 |
Data from ChEMBL 36 via Core Engine