Compound Detail
CHEMBL3940577
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
CC(C)Oc1ccccc1-n1nc(OC2CCN(S(=O)(=O)C(C)C)CC2)cc1-c1ccc(Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL3940577 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIAAESBLPRZGAK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
518.1
MW (Da)
5.56
ALogP
6
HBA
0
HBD
73.7
PSA (Ų)
0.39
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated calcium channel CHEMBL2363032 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated calcium channel | IC50 | = | 7.0 | nM | 8.15 | Functional Drug Screening System (FDSS): Calcium mobilization responses to KCl d... | - |
Data from ChEMBL 36 via Core Engine