Compound Detail
CHEMBL1443778
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Basic Information
| ChEMBL ID | CHEMBL1443778 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DCUZLMUDNWZWNW-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
334.8
MW (Da)
1.18
ALogP
5
HBA
2
HBD
81.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 6 CHEMBL4423 | IC50 | 5.23 | 5.03 | 5840.0 | 2 |
| Apelin receptor CHEMBL1628481 | IC50 | 5.14 | 5.14 | 7220.0 | 1 |
| C-X-C chemokine receptor type 5 CHEMBL1075315 | IC50 | 5.03 | 5.03 | 9239.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 6 | IC50 | = | 5840.0 | nM | 5.23 | PUBCHEM_BIOASSAY: SAR analysis of small molecule antagonists of the CCR6 recepto... | - |
| Apelin receptor | IC50 | = | 7220.0 | nM | 5.14 | PUBCHEM_BIOASSAY: SAR analysis counterscreen of small molecule antagonists of th... | - |
| C-X-C chemokine receptor type 5 | IC50 | = | 9239.0 | nM | 5.03 | PUBCHEM_BIOASSAY: SAR analysis counterscreen of small molecule antagonists of th... | - |
| C-C chemokine receptor type 6 | IC50 | = | 14900.0 | nM | 4.83 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of th... | - |
Data from ChEMBL 36 via Core Engine