Compound Detail
CHEMBL2002430
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CC(=O)OC[C@]12CC[C@H]3[C@@](C)(CC[C@H]4C(C)(C)CCC[C@]34C)[C@@H]1CC(C1=CC(=O)OC1O)O2
Basic Information
| ChEMBL ID | CHEMBL2002430 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSNRQJCSNGQROZ-UJUDTHEPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
460.6
MW (Da)
4.54
ALogP
6
HBA
1
HBD
82.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | IC50 | 4.82 | 4.82 | 15219.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.26 | 4.26 | 55022.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | IC50 | = | 15219.0 | nM | 4.82 | PUBCHEM_BIOASSAY: TRFRET-based cell-based high throughput dose response assay fo... | - |
| Unchecked | IC50 | = | 55022.0 | nM | 4.26 | PUBCHEM_BIOASSAY: Counterscreen for biased ligands (antagonists) of the melanoco... | - |
Data from ChEMBL 36 via Core Engine