Compound Detail
CHEMBL1423004
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 | CHEMBL1423004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHARTEHOSRSMSF-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
380.5
MW (Da)
3.31
ALogP
7
HBA
1
HBD
85.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Galanin receptor type 3 CHEMBL2731 | IC50 | 7.06 | 7.06 | 86.9 | 1 |
| COUP transcription factor 2 CHEMBL1961790 | IC50 | 6.25 | 6.25 | 568.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.35 | 4.35 | 45100.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 4.21 | 4.21 | 61400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Galanin receptor type 3 | IC50 | = | 86.87 | nM | 7.06 | PubChem BioAssay. Fluorescence-based cell-based primary high throughput dose res... | - |
| COUP transcription factor 2 | IC50 | = | 567.98 | nM | 6.25 | PubChem BioAssay. Luminescence-based cell-based high throughput dose response as... | - |
| Unchecked | IC50 | = | 45100.0 | nM | 4.35 | PUBCHEM_BIOASSAY: Dose response cytotoxicity of uHTS chemical inhibitors of both... | - |
| Jurkat | IC50 | = | 61400.0 | nM | 4.21 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS of chemical inhibitors of b... | - |
Data from ChEMBL 36 via Core Engine