Compound Detail
CHEMBL1325640
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Basic Information
| ChEMBL ID | CHEMBL1325640 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHNKKLDMLMQQKH-PKNBQFBNSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
257.3
MW (Da)
2.79
ALogP
4
HBA
0
HBD
51.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.04
IC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neurotensin receptor type 1 CHEMBL4123 | EC50 | 5.04 | 5.04 | 9060.0 | 1 |
| Melanocortin receptor 4 CHEMBL259 | IC50 | 4.92 | 4.92 | 12119.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neurotensin receptor type 1 | EC50 | = | 9060.0 | nM | 5.04 | PUBCHEM_BIOASSAY: Dose Response confirmation of Image-Based HTS for Selective Ag... | - |
| Melanocortin receptor 4 | IC50 | = | 12119.0 | nM | 4.92 | PUBCHEM_BIOASSAY: TRFRET-based cell-based high throughput dose response assay fo... | - |
Data from ChEMBL 36 via Core Engine