Compound Detail
CHEMBL4068483
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Basic Information
| ChEMBL ID | CHEMBL4068483 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRESKKYMJSHZPR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
3.02
ALogP
6
HBA
3
HBD
100.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ras-related protein Rab-7a CHEMBL4105784 | EC50 | 7.13 | 7.11 | 74.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ras-related protein Rab-7a | EC50 | = | 74.0 | nM | 7.13 | Displacement of BODIPY-GTP from nucleotide binding site of wild-type GST-tagged ... | - |
| Ras-related protein Rab-7a | EC50 | = | 82.0 | nM | 7.09 | Displacement of BODIPY-GTP from nucleotide binding site of wild-type GST-tagged ... | - |
Data from ChEMBL 36 via Core Engine