Compound Detail
CHEMBL1904956
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 | CHEMBL1904956 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDJGSIZJBSTISP-NHDPSOOVSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
2.67
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 6 CHEMBL4423 | IC50 | 4.74 | 4.64 | 18300.0 | 2 |
| C-X-C chemokine receptor type 5 CHEMBL1075315 | IC50 | 4.6 | 4.6 | 25168.0 | 1 |
| Apelin receptor CHEMBL1628481 | IC50 | 4.54 | 4.54 | 28800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 6 | IC50 | = | 18300.0 | nM | 4.74 | PUBCHEM_BIOASSAY: SAR analysis of small molecule antagonists of the CCR6 recepto... | - |
| C-X-C chemokine receptor type 5 | IC50 | = | 25168.0 | nM | 4.6 | PUBCHEM_BIOASSAY: SAR analysis counterscreen of small molecule antagonists of th... | - |
| C-C chemokine receptor type 6 | IC50 | = | 29100.0 | nM | 4.54 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of th... | - |
| Apelin receptor | IC50 | = | 28800.0 | nM | 4.54 | PUBCHEM_BIOASSAY: SAR analysis counterscreen of small molecule antagonists of th... | - |
Data from ChEMBL 36 via Core Engine