Compound Detail
CHEMBL1382003
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Basic Information
| ChEMBL ID | CHEMBL1382003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WIQVPSDSSXAQHC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
439.6
MW (Da)
5.22
ALogP
6
HBA
0
HBD
38.1
PSA (Ų)
0.31
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 6 CHEMBL4423 | IC50 | 4.72 | 4.72 | 19100.0 | 1 |
| C-X-C chemokine receptor type 5 CHEMBL1075315 | IC50 | 4.66 | 4.66 | 21895.0 | 1 |
| Apelin receptor CHEMBL1628481 | IC50 | 4.51 | 4.51 | 30900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 6 | IC50 | = | 19100.0 | nM | 4.72 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of th... | - |
| C-X-C chemokine receptor type 5 | IC50 | = | 21895.0 | nM | 4.66 | PUBCHEM_BIOASSAY: SAR analysis counterscreen of small molecule antagonists of th... | - |
| Apelin receptor | IC50 | = | 30900.0 | nM | 4.51 | PUBCHEM_BIOASSAY: SAR analysis counterscreen of small molecule antagonists of th... | - |
Data from ChEMBL 36 via Core Engine