Compound Detail
CHEMBL3355372
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Basic Information
| ChEMBL ID | CHEMBL3355372 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRDDCXLWTMGDOF-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
430.6
MW (Da)
6.62
ALogP
3
HBA
0
HBD
17.4
PSA (Ų)
0.26
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.33
Ki 1 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.16 | 7.16 | 69.8 | 1 |
| ATP-dependent translocase ABCB1 CHEMBL4302 | EC50 | 5.33 | 5.33 | 4680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 69.8 | nM | 7.16 | Displacement of [3H]-DTG from sigma2 receptor in rat liver membranes in presence... | 25462276 |
| ATP-dependent translocase ABCB1 | EC50 | = | 4680.0 | nM | 5.33 | Activity at MDR1 (unknown origin) expressed in MDCK-MDR1 cells by Calcein-AM ass... | 25462276 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25462276 | 10.1016/j.ejmech.2014.11.001 | Unchecked | 2 |
| 25462276 | 10.1016/j.ejmech.2014.11.001 | ATP-dependent translocase ABCB1 | 1 |
Data from ChEMBL 36 via Core Engine