Compound Detail
CHEMBL248480
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
O=C(Nc1ccc(CCN2CCc3ccccc3C2)cc1)Nc1ccccc1NC(=O)c1cnc2ccccc2c1
Basic Information
| ChEMBL ID | CHEMBL248480 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZITINVMPJYNKEP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
541.7
MW (Da)
6.73
ALogP
4
HBA
3
HBD
86.4
PSA (Ų)
0.21
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 CHEMBL4302 | IC50 | 6.09 | 6.09 | 812.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 | IC50 | = | 812.83 | nM | 6.09 | Inhibition of P-glycoprotein expressed in A2780/ADR cells by calcein AM assay | 17890094 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17890094 | 10.1016/j.bmc.2007.07.024 | ATP-dependent translocase ABCB1 | 2 |
Data from ChEMBL 36 via Core Engine