Compound Detail
CHEMBL3613011
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
COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3N(S(=O)(=O)c3ccc(Br)cc3)S(=O)(=O)c3ccc(Br)cc3)cc1)CC2
Basic Information
| ChEMBL ID | CHEMBL3613011 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQIYNAWJFAUJBY-UHFFFAOYSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
869.6
MW (Da)
7.67
ALogP
8
HBA
1
HBD
122.3
PSA (Ų)
0.14
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26197160 | 10.1016/j.ejmech.2015.06.049 | ADMET | 5 |
| 26197160 | 10.1016/j.ejmech.2015.06.049 | ATP-dependent translocase ABCB1 | 4 |
| 26197160 | 10.1016/j.ejmech.2015.06.049 | Unchecked | 2 |
| 26197160 | 10.1016/j.ejmech.2015.06.049 | SW-620 | 1 |
| 26197160 | 10.1016/j.ejmech.2015.06.049 | HCT-116 | 1 |
| 26197160 | 10.1016/j.ejmech.2015.06.049 | Hepatocyte | 1 |
| 26197160 | 10.1016/j.ejmech.2015.06.049 | K562 | 1 |
| 26197160 | 10.1016/j.ejmech.2015.06.049 | Multidrug resistance-associated protein 1 | 1 |
| 26197160 | 10.1016/j.ejmech.2015.06.049 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine