Compound Detail
CHEMBL1502883
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Basic Information
| ChEMBL ID | CHEMBL1502883 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEOCCSKJQVZLNC-UHFFFAOYSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
5.32
ALogP
4
HBA
2
HBD
61.9
PSA (Ų)
0.38
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.25
IC50 3 meas. best 5.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.25 | 5.855 | 558.0 | 2 |
| HEK293 CHEMBL614818 | EC50 | 5.96 | 5.96 | 1090.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 5.93 | 5.73 | 1184.0 | 2 |
| Zinc finger protein GLI1 CHEMBL5007 | IC50 | 5.07 | 5.07 | 8580.0 | 1 |
| Nucleotide-binding oligomerization domain-containing protein 2 CHEMBL1293266 | EC50 | 4.79 | 4.79 | 16300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 558.0 | nM | 6.25 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| HEK293 | EC50 | = | 1090.0 | nM | 5.96 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| HEK293 | IC50 | = | 1184.0 | nM | 5.93 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| HEK293 | IC50 | = | 2972.0 | nM | 5.53 | PUBCHEM_BIOASSAY: HTS dose response assay for identification of inhibitors of TN... | - |
| Unchecked | EC50 | = | 3444.0 | nM | 5.46 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C... | - |
| Zinc finger protein GLI1 | IC50 | = | 8580.0 | nM | 5.07 | PubChem BioAssay. Dose response confirmation of uHTS antagonist hits from Gli-SU... | - |
| Nucleotide-binding oligomerization domain-containing protein 2 | EC50 | = | 16300.0 | nM | 4.79 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
Data from ChEMBL 36 via Core Engine