Compound Detail
CHEMBL378274
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 | CHEMBL378274 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXXMGRASOYMKFM-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
270.7
MW (Da)
3.58
ALogP
3
HBA
1
HBD
46.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.07
EC50 1 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 6.07 | 5.3467 | 860.0 | 3 |
| Alpha-1D adrenergic receptor CHEMBL326 | EC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Human immunodeficiency virus CHEMBL613758 | IC50 | 4.38 | 4.38 | 41600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 860.0 | nM | 6.07 | Antagonist activity at AR T877A mutant expressed in human LNCaP cells assessed a... | 26295173 |
| Androgen receptor | IC50 | = | 1260.0 | nM | 5.9 | Antagonist activity at wild type AR expressed in human SC cells assessed as inhi... | 26295173 |
| Alpha-1D adrenergic receptor | EC50 | = | 1900.0 | nM | 5.72 | Vasorelaxation of phenylephrine-stimulated Wistar rat aorta contraction | 16513345 |
| Human immunodeficiency virus | IC50 | = | 41600.0 | nM | 4.38 | Inhibition of HIV replication by recombinant virus assay | 16713260 |
| Androgen receptor | IC50 | = | 85400.0 | nM | 4.07 | Displacement of [3H]-DHT from human GST fused AR-LBD (627 to 919 amino acids) tr... | 26295173 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26295173 | 10.1016/j.ejmech.2015.08.002 | Androgen receptor | 5 |
| 16513345 | 10.1016/j.bmcl.2006.02.003 | Alpha-1D adrenergic receptor | 2 |
| 16713260 | 10.1016/j.bmcl.2006.04.087 | Human immunodeficiency virus | 2 |
| - | 10.6019/CHEMBL4888484 | Plasmodium falciparum | 2 |
| 16713260 | 10.1016/j.bmcl.2006.04.087 | Unchecked | 1 |
| 16713260 | 10.1016/j.bmcl.2006.04.087 | ADMET | 1 |
| 16713260 | 10.1016/j.bmcl.2006.04.087 | Protein Tat | 1 |
| 16713260 | 10.1016/j.bmcl.2006.04.087 | Nuclear factor NF-kappa-B complex | 1 |
| 26295173 | 10.1016/j.ejmech.2015.08.002 | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine