Compound Detail
CHEMBL1603662
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Basic Information
| ChEMBL ID | CHEMBL1603662 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGECJIWZRZLXPX-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
474.5
MW (Da)
3.20
ALogP
7
HBA
2
HBD
102.3
PSA (Ų)
0.30
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.39
IC50 1 meas. best 4.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.39 | 5.4733 | 403.0 | 3 |
| Nucleic Acid CHEMBL345 | EC50 | 5.89 | 5.89 | 1290.0 | 1 |
| Ubiquitin-conjugating enzyme E2 N CHEMBL6089 | IC50 | 4.71 | 4.71 | 19356.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 403.0 | nM | 6.39 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Nucleic Acid | EC50 | = | 1290.0 | nM | 5.89 | PUBCHEM_BIOASSAY: Luminescent HTS for small molecule inhibitors of MT1-MMP trans... | - |
| Unchecked | EC50 | = | 9493.0 | nM | 5.02 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
| Unchecked | EC50 | = | 9709.0 | nM | 5.01 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
| Ubiquitin-conjugating enzyme E2 N | IC50 | = | 19356.0 | nM | 4.71 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of U... | - |
Data from ChEMBL 36 via Core Engine