Compound Detail
CHEMBL1300766
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Basic Information
| ChEMBL ID | CHEMBL1300766 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OEJMQJJFVSPMNU-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
307.3
MW (Da)
2.67
ALogP
5
HBA
1
HBD
85.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.66 | 5.4 | 220.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 220.0 | nM | 6.66 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of B-cel... | - |
| Unchecked | IC50 | = | 13300.0 | nM | 4.88 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of B-c... | - |
| Unchecked | IC50 | = | 21700.0 | nM | 4.66 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS of chemical inhibitors of B... | - |
Data from ChEMBL 36 via Core Engine