Compound Detail
CHEMBL3699936
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Basic Information
| ChEMBL ID | CHEMBL3699936 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMPRVBMCLLMYRA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
5.36
ALogP
4
HBA
1
HBD
59.8
PSA (Ų)
0.47
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calcium release-activated calcium channel protein 1 CHEMBL2384891 | IC50 | 6.83 | 6.83 | 146.7 | 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 | = | 146.7 | nM | 6.83 | Inhibition Assay: Inhibition of CRAC channels was determined following thapsigar... | - |
Data from ChEMBL 36 via Core Engine