Compound Detail
CHEMBL1320414
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Basic Information
| ChEMBL ID | CHEMBL1320414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OABLYVPGXRUUBE-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
3.61
ALogP
5
HBA
1
HBD
68.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 7 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleic Acid CHEMBL345 | EC50 | 6.09 | 6.09 | 820.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.97 | 5.59 | 1070.0 | 4 |
| BJ CHEMBL614358 | EC50 | 5.11 | 5.025 | 7859.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleic Acid | EC50 | = | 820.0 | nM | 6.09 | PUBCHEM_BIOASSAY: Luminescent HTS for small molecule inhibitors of MT1-MMP trans... | - |
| Unchecked | EC50 | = | 1070.0 | nM | 5.97 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
| Unchecked | EC50 | = | 1213.0 | nM | 5.92 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Unchecked | EC50 | = | 4095.0 | nM | 5.39 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
| BJ | EC50 | = | 7859.0 | nM | 5.11 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Comp... | - |
| Unchecked | EC50 | = | 8390.0 | nM | 5.08 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| BJ | EC50 | = | 11452.0 | nM | 4.94 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
Data from ChEMBL 36 via Core Engine