Compound Detail
CHEMBL1385608
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 | CHEMBL1385608 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQSMVSCQQSPDFN-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
528.6
MW (Da)
7.75
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.12
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.78
EC50 2 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.89 | 5.89 | 1295.0 | 1 |
| Neuropeptide Y receptor type 2 CHEMBL4018 | IC50 | 5.78 | 5.78 | 1647.0 | 1 |
| Neuropeptide Y receptor type 1 CHEMBL4777 | IC50 | 4.98 | 4.98 | 10400.0 | 1 |
| Calpain-2 catalytic subunit CHEMBL4143 | IC50 | 4.92 | 4.92 | 12031.6 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | EC50 | 4.0 | 4.0 | 99600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1295.0 | nM | 5.89 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Neuropeptide Y receptor type 2 | IC50 | = | 1647.0 | nM | 5.78 | PUBCHEM_BIOASSAY: Dose response cell-based screening assay for antagonists of ne... | - |
| Neuropeptide Y receptor type 1 | IC50 | = | 10400.0 | nM | 4.98 | PUBCHEM_BIOASSAY: Dose response counterscreen for neuropeptide Y receptor Y2 (NP... | - |
| Calpain-2 catalytic subunit | IC50 | = | 12031.62 | nM | 4.92 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Calpain Inhibitors. (Class of a... | - |
| Alkaline phosphatase, germ cell type | EC50 | = | 99600.0 | nM | 4.0 | PUBCHEM_BIOASSAY: Luminescent assay for HTS discovery of chemical activators of ... | - |
Data from ChEMBL 36 via Core Engine