Compound Detail
CHEMBL1303835
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Basic Information
| ChEMBL ID | CHEMBL1303835 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGIDRSHKVCGPBN-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
272.3
MW (Da)
2.90
ALogP
4
HBA
2
HBD
75.4
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleic Acid CHEMBL345 | EC50 | 6.64 | 6.64 | 230.0 | 1 |
| Luciferin 4-monooxygenase CHEMBL5567 | EC50 | 5.54 | 5.54 | 2866.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.47 | 5.26 | 3404.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleic Acid | EC50 | = | 230.0 | nM | 6.64 | PUBCHEM_BIOASSAY: Luminescent HTS for small molecule inhibitors of MT1-MMP trans... | - |
| Luciferin 4-monooxygenase | EC50 | = | 2866.0 | nM | 5.54 | PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibit... | - |
| Unchecked | EC50 | = | 3404.0 | nM | 5.47 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Unchecked | EC50 | = | 8886.0 | nM | 5.05 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
Data from ChEMBL 36 via Core Engine