Compound Detail
CHEMBL1300063
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Basic Information
| ChEMBL ID | CHEMBL1300063 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOKPVAFBMLWNSV-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
449.5
MW (Da)
4.17
ALogP
8
HBA
1
HBD
90.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.73
IC50 2 meas. best 5.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | IC50 | 5.06 | 5.06 | 8672.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.96 | 4.96 | 10860.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.73 | 4.7 | 18493.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | IC50 | = | 8672.0 | nM | 5.06 | PUBCHEM_BIOASSAY: TRFRET-based cell-based high throughput dose response assay fo... | - |
| Unchecked | IC50 | = | 10860.0 | nM | 4.96 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
| Unchecked | EC50 | = | 18493.0 | nM | 4.73 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 21356.0 | nM | 4.67 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
Data from ChEMBL 36 via Core Engine