Compound Detail
CHEMBL1603353
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
CS(=O)(=O)O.O.Oc1ccc2c3c1O[C@H]1c4oc5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314
Basic Information
| ChEMBL ID | CHEMBL1603353 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VAGWKZSGWSRENH-HIAJFTJMSA-N |
| Parent Compound | CHEMBL100940 |
| Active Moiety | CHEMBL100940 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
3.84
ALogP
5
HBA
2
HBD
66.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | IC50 | 6.16 | 6.16 | 698.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | IC50 | = | 698.5 | nM | 6.16 | PUBCHEM_BIOASSAY: uHTS identification of small molecule antagonists of the kappa... | - |
Data from ChEMBL 36 via Core Engine