Compound Detail
CHEMBL1965376
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Basic Information
| ChEMBL ID | CHEMBL1965376 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LNYRXTMMCOETEA-UBKPWBPPSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
442.2
MW (Da)
1.99
ALogP
9
HBA
2
HBD
141.1
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tegument protein VP16 CHEMBL4218 | IC50 | 5.33 | 5.33 | 4648.0 | 1 |
| Nuclear receptor coactivator 3 CHEMBL1615382 | IC50 | 5.28 | 5.28 | 5205.0 | 1 |
| Nuclear receptor coactivator 1 CHEMBL1615387 | IC50 | 5.08 | 5.08 | 8359.0 | 1 |
| Aminopeptidase N CHEMBL4117 | IC50 | 4.32 | 4.32 | 47730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tegument protein VP16 | IC50 | = | 4648.0 | nM | 5.33 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| Nuclear receptor coactivator 3 | IC50 | = | 5205.0 | nM | 5.28 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| Nuclear receptor coactivator 1 | IC50 | = | 8359.0 | nM | 5.08 | PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response as... | - |
| Aminopeptidase N | IC50 | = | 47730.0 | nM | 4.32 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... | - |
Data from ChEMBL 36 via Core Engine