Compound Detail
CHEMBL3731071
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Basic Information
| ChEMBL ID | CHEMBL3731071 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCDUVVPSXMZZIS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
369.3
MW (Da)
4.36
ALogP
4
HBA
0
HBD
39.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calcium release-activated calcium channel protein 1 CHEMBL3721308 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calcium release-activated calcium channel protein 1 | IC50 | = | 600.0 | nM | 6.22 | Inhibition of CRAC in rat RBL2H3 cells assessed as interacellular calcium level ... | - |
Data from ChEMBL 36 via Core Engine