Compound Detail
CHEMBL1386804
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Basic Information
| ChEMBL ID | CHEMBL1386804 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHDKKNRCKBHABW-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
319.4
MW (Da)
2.35
ALogP
6
HBA
2
HBD
94.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.52
EC50 1 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.52 | 6.365 | 300.0 | 2 |
| Jurkat CHEMBL397 | IC50 | 6.19 | 6.19 | 640.0 | 1 |
| Nucleic Acid CHEMBL345 | EC50 | 6.14 | 6.14 | 730.0 | 1 |
| Leucine aminopeptidase CHEMBL1293313 | IC50 | 5.32 | 5.32 | 4790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 300.0 | nM | 6.52 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS chemical inhibitors of both... | - |
| Unchecked | IC50 | = | 610.0 | nM | 6.21 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of bot... | - |
| Jurkat | IC50 | = | 640.0 | nM | 6.19 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS of chemical inhibitors of b... | - |
| Nucleic Acid | EC50 | = | 730.0 | nM | 6.14 | PUBCHEM_BIOASSAY: Luminescent HTS for small molecule inhibitors of MT1-MMP trans... | - |
| Leucine aminopeptidase | IC50 | = | 4790.0 | nM | 5.32 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M17- Family Leucine Aminop... | - |
Data from ChEMBL 36 via Core Engine