Compound Detail
CHEMBL1386649
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Basic Information
| ChEMBL ID | CHEMBL1386649 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGQIYNHUCLXQOX-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
274.1
MW (Da)
1.79
ALogP
3
HBA
1
HBD
59.3
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Nucleic Acid CHEMBL345 | EC50 | 4.73 | 4.73 | 18500.0 | 1 |
| HT-1080 CHEMBL614580 | EC50 | 4.69 | 4.69 | 20400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 12000.0 | nM | 4.92 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| Nucleic Acid | EC50 | = | 18500.0 | nM | 4.73 | PUBCHEM_BIOASSAY: Luminescent HTS for small molecule inhibitors of MT1-MMP trans... | - |
| HT-1080 | EC50 | = | 20400.0 | nM | 4.69 | PUBCHEM_BIOASSAY: Fluorescent HTS Cytotoxicity/Cell viability assay (HT1080 cell... | - |
Data from ChEMBL 36 via Core Engine