Compound Detail
CHEMBL1462373
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Basic Information
| ChEMBL ID | CHEMBL1462373 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LVCYTCRNJAGCFC-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
254.3
MW (Da)
2.30
ALogP
5
HBA
1
HBD
65.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 7 meas. best 6.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Luciferin 4-monooxygenase CHEMBL5567 | EC50 | 6.29 | 6.29 | 513.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.21 | 5.71 | 621.0 | 2 |
| Nucleic Acid CHEMBL345 | EC50 | 5.76 | 5.76 | 1730.0 | 1 |
| BJ CHEMBL614358 | EC50 | 5.41 | 5.17 | 3855.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Luciferin 4-monooxygenase | EC50 | = | 513.0 | nM | 6.29 | PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibit... | - |
| Unchecked | EC50 | = | 621.0 | nM | 6.21 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Nucleic Acid | EC50 | = | 1730.0 | nM | 5.76 | PUBCHEM_BIOASSAY: Luminescent HTS for small molecule inhibitors of MT1-MMP trans... | - |
| BJ | EC50 | = | 3855.0 | nM | 5.41 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| BJ | EC50 | = | 4453.0 | nM | 5.35 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Comp... | - |
| Unchecked | EC50 | = | 6140.0 | nM | 5.21 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| BJ | EC50 | = | 17648.0 | nM | 4.75 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
Data from ChEMBL 36 via Core Engine