Compound Detail
CHEMBL1444103
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Basic Information
| ChEMBL ID | CHEMBL1444103 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POWBUUIZUJLPHW-VOTSOKGWSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
219.3
MW (Da)
3.02
ALogP
4
HBA
0
HBD
35.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.0
IC50 1 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | EC50 | 8.0 | 8.0 | 10.0 | 1 |
| BJ CHEMBL614358 | EC50 | 6.29 | 6.29 | 508.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.4 | 5.4 | 3969.0 | 1 |
| DNA damage-inducible transcript 3 protein CHEMBL2146304 | IC50 | 5.33 | 5.33 | 4650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 | EC50 | = | 10.0 | nM | 8.0 | PUBCHEM_BIOASSAY: E3 Ligase dose-response_384. (Class of assay: confirmatory) [R... | - |
| BJ | EC50 | = | 508.0 | nM | 6.29 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Dose Response to Characterize Compound... | - |
| Unchecked | EC50 | = | 3969.0 | nM | 5.4 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay for toxicity in mammal... | - |
| DNA damage-inducible transcript 3 protein | IC50 | = | 4650.0 | nM | 5.33 | PUBCHEM_BIOASSAY: CHOP dose-response primary assay. (Class of assay: confirmator... | - |
Data from ChEMBL 36 via Core Engine