Compound Detail
CHEMBL5763957
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
Cc1c(Br)ccc(F)c1[C@@H](C)[C@H](NS(=O)(=O)c1ccc(F)c2c1OCC[C@]2(C)O)c1n[nH]c(=O)o1
Basic Information
| ChEMBL ID | CHEMBL5763957 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HDACFKYOBJLCPQ-LFVZLAKZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
574.4
MW (Da)
3.53
ALogP
7
HBA
3
HBD
134.5
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptors; M1 & M2 CHEMBL2095219 | IC50 | 7.3 | 7.175 | 50.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptors; M1 & M2 | IC50 | = | 50.0 | nM | 7.3 | Inhibition Effect: First, test compounds were serially diluted with DMSO. Next, ... | - |
| Muscarinic acetylcholine receptors; M1 & M2 | IC50 | = | 90.0 | nM | 7.05 | Inhibition Effect: First, test compounds were serially diluted with DMSO. Next, ... | - |
Data from ChEMBL 36 via Core Engine