Compound Detail
CHEMBL1332346
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COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccccc4)c3C[C@H]2CN1C(=O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL1332346 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YOHQXMCAKJZZPA-XRCYRVQWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
579.7
MW (Da)
4.94
ALogP
5
HBA
0
HBD
71.8
PSA (Ų)
0.29
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 4.95 | 4.95 | 11115.0 | 1 |
| Neuropeptides B/W receptor type 1 CHEMBL1293293 | IC50 | 4.79 | 4.79 | 16295.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | IC50 | = | 11115.0 | nM | 4.95 | PUBCHEM_BIOASSAY: Fluorescence-based counterscreen for antagonists of the G-prot... | - |
| Neuropeptides B/W receptor type 1 | IC50 | = | 16295.0 | nM | 4.79 | PUBCHEM_BIOASSAY: Fluorescence-based dose response cell-based high throughput sc... | - |
Data from ChEMBL 36 via Core Engine