Compound Detail
CHEMBL1458112
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1458112 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRHJSGALSIKJLW-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
318.8
MW (Da)
2.81
ALogP
4
HBA
0
HBD
80.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptides B/W receptor type 1 CHEMBL1293293 | IC50 | 5.54 | 5.39 | 2884.0 | 2 |
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 5.1 | 5.05 | 8010.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptides B/W receptor type 1 | IC50 | = | 2884.0 | nM | 5.54 | PUBCHEM_BIOASSAY: Fluorescence-based dose response cell-based high throughput sc... | - |
| Neuropeptides B/W receptor type 1 | IC50 | = | 5800.0 | nM | 5.24 | PUBCHEM_BIOASSAY: Late-stage fluorescence-based dose response cell-based screeni... | - |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 8010.0 | nM | 5.1 | PUBCHEM_BIOASSAY: Fluorescence-based counterscreen for antagonists of the G-prot... | - |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 10100.0 | nM | 5.0 | PUBCHEM_BIOASSAY: Late-stage fluorescence-based counterscreen for antagonists of... | - |
Data from ChEMBL 36 via Core Engine