Compound Detail
CHEMBL3401446
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
Cc1nn(-c2ccc(C(N)=O)c(NC3CC4CCCC(C3)C4NCc3ccccc3)c2)c2c1C(=O)CC(C)(C)C2
Basic Information
| ChEMBL ID | CHEMBL3401446 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTKOWMRRADITCX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
539.7
MW (Da)
5.58
ALogP
6
HBA
3
HBD
102.0
PSA (Ų)
0.36
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.95 | 4.95 | 11350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 11350.0 | nM | 4.95 | Displacement of [3H]-di-o-tolylguanidine from sigma 2 receptor in Sprague-Dawley... | 25752422 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25752422 | 10.1016/j.bmc.2015.02.012 | Sigma non-opioid intracellular receptor 1 | 1 |
| 25752422 | 10.1016/j.bmc.2015.02.012 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine