Compound Detail
CHEMBL1983418
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Basic Information
| ChEMBL ID | CHEMBL1983418 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMBLOFIHDPHYHB-HIXSDJFHSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
391.4
MW (Da)
3.29
ALogP
6
HBA
1
HBD
82.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.33
IC50 2 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.33 | 5.8133 | 473.0 | 3 |
| Tegument protein VP16 CHEMBL4218 | IC50 | 5.07 | 5.07 | 8610.0 | 1 |
| Nuclear receptor coactivator 3 CHEMBL1615382 | IC50 | 5.02 | 5.02 | 9582.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 473.0 | nM | 6.33 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Unchecked | EC50 | = | 750.0 | nM | 6.12 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C... | - |
| Tegument protein VP16 | IC50 | = | 8610.0 | nM | 5.07 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| Nuclear receptor coactivator 3 | IC50 | = | 9582.0 | nM | 5.02 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| Unchecked | EC50 | = | 10348.0 | nM | 4.99 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Confirmation at Dose to Identify Trans... | - |
Data from ChEMBL 36 via Core Engine