Compound Detail
CHEMBL1986557
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 | CHEMBL1986557 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWXYMRFSDRIXRJ-SUAYMTCYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
375.5
MW (Da)
3.59
ALogP
8
HBA
3
HBD
90.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.94
IC50 3 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 4.94 | 4.94 | 11600.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.89 | 4.635 | 12841.0 | 2 |
| Neuropeptide Y receptor type 2 CHEMBL4018 | EC50 | 4.66 | 4.64 | 22003.0 | 2 |
| Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3706 | IC50 | 4.51 | 4.51 | 31208.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 11600.0 | nM | 4.94 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| Unchecked | IC50 | = | 12841.0 | nM | 4.89 | PubChem BioAssay. Counterscreen for exosite inhibitors of ADAM17: Fluorescence r... | - |
| Neuropeptide Y receptor type 2 | EC50 | = | 22003.0 | nM | 4.66 | PUBCHEM_BIOASSAY: Fluorescence counterscreen for potentiators or agonists of NPY... | - |
| Neuropeptide Y receptor type 2 | EC50 | = | 24290.0 | nM | 4.62 | PUBCHEM_BIOASSAY: Fluorescence-based counterscreen for agonists of NPY-Y1: cell-... | - |
| Disintegrin and metalloproteinase domain-containing protein 17 | IC50 | = | 31208.0 | nM | 4.51 | PubChem BioAssay. QFRET-based biochemical high throughput dose response assay to... | - |
| Unchecked | IC50 | = | 41320.0 | nM | 4.38 | PubChem BioAssay. QFRET-based biochemical high throughput dose response assay to... | - |
Data from ChEMBL 36 via Core Engine