Compound Detail
CHEMBL3199186
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 | CHEMBL3199186 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BAPJYUTWLYSJMH-SOXNPBTNSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
343.2
MW (Da)
4.27
ALogP
2
HBA
1
HBD
41.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.57
EC50 1 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEK293 CHEMBL614818 | IC50 | 5.57 | 5.57 | 2703.0 | 1 |
| HEK293 CHEMBL614818 | EC50 | 5.44 | 5.44 | 3645.0 | 1 |
| C-C chemokine receptor type 6 CHEMBL4423 | IC50 | 4.59 | 4.59 | 25400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEK293 | IC50 | = | 2703.0 | nM | 5.57 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| HEK293 | EC50 | = | 3645.0 | nM | 5.44 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| C-C chemokine receptor type 6 | IC50 | = | 25400.0 | nM | 4.59 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of th... | - |
Data from ChEMBL 36 via Core Engine