Compound Detail
CHEMBL4785035
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
COc1ccc2[nH]cc(CCCN3CCN(C(=O)CN4CCN(C(=O)c5ccc(Br)cc5)CC4)CC3)c2c1
Basic Information
| ChEMBL ID | CHEMBL4785035 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYDWRYYJOVDFNE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
582.5
MW (Da)
3.47
ALogP
5
HBA
1
HBD
72.1
PSA (Ų)
0.44
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEK293 CHEMBL614818 | IC50 | 4.09 | 4.09 | 80500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEK293 | IC50 | = | 80500.0 | nM | 4.09 | Cytotoxicity against human HEK293 cells assessed as reduction in cell viability ... | 32388114 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32388114 | 10.1016/j.ejmech.2020.112368 | No relevant target | 1 |
| 32388114 | 10.1016/j.ejmech.2020.112368 | Acetylcholinesterase | 1 |
| 32388114 | 10.1016/j.ejmech.2020.112368 | Sodium-dependent serotonin transporter | 1 |
| 32388114 | 10.1016/j.ejmech.2020.112368 | HEK293 | 1 |
| 32388114 | 10.1016/j.ejmech.2020.112368 | SH-SY5Y | 1 |
Data from ChEMBL 36 via Core Engine