Compound Detail
CHEMBL3716221
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Basic Information
| ChEMBL ID | CHEMBL3716221 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVGLWVPVTNZKPO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
335.2
MW (Da)
4.70
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily M member 7 CHEMBL3714706 | IC50 | 6.02 | 6.02 | 960.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.3 | 5.3 | 4970.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily M member 7 | IC50 | = | 960.0 | nM | 6.02 | Inhibition of N-terminal Flag-tagged mouse TRPM7 expressed in HEK293T cells asse... | - |
| NON-PROTEIN TARGET | IC50 | = | 4970.0 | nM | 5.3 | Antiproliferative activity against human WERI cells assessed as inhibition of ce... | - |
Data from ChEMBL 36 via Core Engine