Compound Detail
CHEMBL1323442
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Basic Information
| ChEMBL ID | CHEMBL1323442 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRTSHOPAYARHOO-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
393.4
MW (Da)
1.76
ALogP
7
HBA
3
HBD
140.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.07
EC50 1 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neurotensin receptor type 1 CHEMBL4123 | EC50 | 5.47 | 5.47 | 3350.0 | 1 |
| COUP transcription factor 2 CHEMBL1961790 | IC50 | 5.07 | 5.07 | 8543.0 | 1 |
| Tegument protein VP16 CHEMBL4218 | IC50 | 4.53 | 4.53 | 29783.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neurotensin receptor type 1 | EC50 | = | 3350.0 | nM | 5.47 | PUBCHEM_BIOASSAY: Dose Response confirmation of Image-Based HTS for Selective Ag... | - |
| COUP transcription factor 2 | IC50 | = | 8543.0 | nM | 5.07 | PubChem BioAssay. Luminescence-based cell-based high throughput dose response as... | - |
| Tegument protein VP16 | IC50 | = | 29783.0 | nM | 4.53 | PubChem BioAssay. Counterscreen for inhibitors of COUP-TFII (NR2F2): Luminescenc... | - |
Data from ChEMBL 36 via Core Engine