Compound Detail
CHEMBL1544409
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Basic Information
| ChEMBL ID | CHEMBL1544409 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVAQCHRSUUTGRT-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
363.9
MW (Da)
4.96
ALogP
4
HBA
1
HBD
50.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.7
EC50 2 meas. best 6.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.03 | 5.78 | 938.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.7 | 5.7 | 1982.0 | 1 |
| Nuclear receptor coactivator 3 CHEMBL1615382 | IC50 | 5.35 | 5.35 | 4492.0 | 1 |
| Tegument protein VP16 CHEMBL4218 | IC50 | 5.16 | 5.16 | 6956.0 | 1 |
| Nuclear receptor coactivator 1 CHEMBL1615387 | IC50 | 5.03 | 5.03 | 9376.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 938.0 | nM | 6.03 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Unchecked | IC50 | = | 1982.0 | nM | 5.7 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
| Unchecked | EC50 | = | 2966.0 | nM | 5.53 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C... | - |
| Nuclear receptor coactivator 3 | IC50 | = | 4492.0 | nM | 5.35 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| Tegument protein VP16 | IC50 | = | 6956.0 | nM | 5.16 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| Nuclear receptor coactivator 1 | IC50 | = | 9376.0 | nM | 5.03 | PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response as... | - |
Data from ChEMBL 36 via Core Engine