Compound Detail
CHEMBL1441604
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Basic Information
| ChEMBL ID | CHEMBL1441604 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNPOHCNDXFGPDS-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
417.9
MW (Da)
3.80
ALogP
5
HBA
2
HBD
97.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.51 | 5.33 | 310.0 | 2 |
| COUP transcription factor 2 CHEMBL1961790 | IC50 | 5.49 | 5.49 | 3214.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 4.42 | 4.42 | 38200.0 | 1 |
| Tegument protein VP16 CHEMBL4218 | IC50 | 4.13 | 4.13 | 73490.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 310.0 | nM | 6.51 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of bot... | - |
| COUP transcription factor 2 | IC50 | = | 3214.0 | nM | 5.49 | PubChem BioAssay. Luminescence-based cell-based high throughput dose response as... | - |
| Jurkat | IC50 | = | 38200.0 | nM | 4.42 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS of chemical inhibitors of b... | - |
| Unchecked | IC50 | = | 70300.0 | nM | 4.15 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS chemical inhibitors of both... | - |
| Tegument protein VP16 | IC50 | = | 73490.0 | nM | 4.13 | PubChem BioAssay. Counterscreen for inhibitors of COUP-TFII (NR2F2): Luminescenc... | - |
Data from ChEMBL 36 via Core Engine