Compound Detail
CHEMBL3914655
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Basic Information
| ChEMBL ID | CHEMBL3914655 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBCKGYSXAORVOF-ZWSORDCHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
400.2
MW (Da)
4.45
ALogP
5
HBA
2
HBD
71.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-binding cassette sub-family C member 2 CHEMBL5748 | IC50 | 4.75 | 4.75 | 17800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-binding cassette sub-family C member 2 | IC50 | = | 17800.0 | nM | 4.75 | Inhibition of ABCC2 (unknown origin) expressed in MDCK2 cells assessed as inhibi... | 27393949 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27393949 | 10.1016/j.ejmech.2016.06.039 | ATP-binding cassette sub-family C member 2 | 3 |
Data from ChEMBL 36 via Core Engine