Compound Detail
CHEMBL1436389
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Basic Information
| ChEMBL ID | CHEMBL1436389 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PNDSDWZVQAYPFQ-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
329.2
MW (Da)
2.13
ALogP
8
HBA
0
HBD
69.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.17
Kd 1 meas. best 5.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.17 | 5.83 | 670.0 | 3 |
| Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma CHEMBL1770034 | Kd | 5.95 | 5.95 | 1120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 670.0 | nM | 6.17 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS of chemical inhibitors of B... | - |
| Unchecked | IC50 | = | 1130.0 | nM | 5.95 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of B-cel... | - |
| Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma | Kd | = | 1120.0 | nM | 5.95 | Inhibition of PIP5K2C (unknown origin) | - |
| Unchecked | IC50 | = | 4260.0 | nM | 5.37 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of B-c... | - |
Data from ChEMBL 36 via Core Engine