Compound Detail
CHEMBL1393156
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1393156 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDUBOQBUCQLZCK-JZJYNLBNSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
477.6
MW (Da)
2.91
ALogP
7
HBA
1
HBD
71.1
PSA (Ų)
0.30
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.37
EC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.37 | 6.325 | 430.0 | 2 |
| Nuclear receptor coactivator 3 CHEMBL1615382 | IC50 | 5.23 | 5.23 | 5914.0 | 1 |
| BJ CHEMBL614358 | EC50 | 4.7 | 4.7 | 20071.0 | 1 |
| Tegument protein VP16 CHEMBL4218 | IC50 | 4.66 | 4.66 | 21934.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 430.0 | nM | 6.37 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS of chemical inhibitors of B... | - |
| Unchecked | IC50 | = | 520.0 | nM | 6.28 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of B-cel... | - |
| Nuclear receptor coactivator 3 | IC50 | = | 5914.0 | nM | 5.23 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| BJ | EC50 | = | 20071.0 | nM | 4.7 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| Tegument protein VP16 | IC50 | = | 21934.0 | nM | 4.66 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
Data from ChEMBL 36 via Core Engine