Compound Detail
CHEMBL1565349
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 | CHEMBL1565349 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OEWBVHQZAIHBFE-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
459.6
MW (Da)
3.09
ALogP
7
HBA
1
HBD
97.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.93 | 5.535 | 1180.0 | 2 |
| Sphingosine 1-phosphate receptor 2 CHEMBL2955 | IC50 | 5.65 | 5.535 | 2248.0 | 2 |
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | IC50 | 5.44 | 5.1 | 3595.0 | 2 |
| Jurkat CHEMBL397 | IC50 | 5.11 | 5.11 | 7790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1180.0 | nM | 5.93 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of bot... | - |
| Sphingosine 1-phosphate receptor 2 | IC50 | = | 2248.0 | nM | 5.65 | PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based S... | - |
| Orexin/Hypocretin receptor type 1 | IC50 | = | 3595.0 | nM | 5.44 | PUBCHEM_BIOASSAY: Homogeneous Time Resolved Fluorescence (HTRF)-based cell-based... | - |
| Sphingosine 1-phosphate receptor 2 | IC50 | = | 3808.0 | nM | 5.42 | PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Rec... | - |
| Unchecked | IC50 | = | 7170.0 | nM | 5.14 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS chemical inhibitors of both... | - |
| Jurkat | IC50 | = | 7790.0 | nM | 5.11 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS of chemical inhibitors of b... | - |
| Orexin/Hypocretin receptor type 1 | IC50 | = | 17457.0 | nM | 4.76 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response as... | - |
Data from ChEMBL 36 via Core Engine