Compound Detail
CHEMBL1450505
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Basic Information
| ChEMBL ID | CHEMBL1450505 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXIWCJHYACCRFZ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
417.5
MW (Da)
1.59
ALogP
8
HBA
1
HBD
110.2
PSA (Ų)
0.34
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein phosphatase CHEMBL1293265 | IC50 | 4.93 | 4.93 | 11793.0 | 1 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 4.71 | 4.71 | 19400.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.61 | 4.61 | 24300.0 | 1 |
| Serine/threonine-protein phosphatase PP1-alpha catalytic subunit CHEMBL2164 | IC50 | 4.24 | 4.24 | 57600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein phosphatase | IC50 | = | 11793.0 | nM | 4.93 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Apoptotic protease-activating factor 1 | IC50 | = | 19400.0 | nM | 4.71 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 in a Fluore... | - |
| Unchecked | IC50 | = | 24300.0 | nM | 4.61 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 using a LZ-... | - |
| Serine/threonine-protein phosphatase PP1-alpha catalytic subunit | IC50 | = | 57600.0 | nM | 4.24 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of PP5: fluorescence-based bioche... | - |
Data from ChEMBL 36 via Core Engine