Compound Detail
CHEMBL1522544
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Basic Information
| ChEMBL ID | CHEMBL1522544 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PESHQZFOQZCWKC-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
4.29
ALogP
3
HBA
0
HBD
46.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.76 | 4.76 | 17310.0 | 2 |
| C-X-C chemokine receptor type 5 CHEMBL1075315 | IC50 | 4.62 | 4.62 | 24253.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 17310.0 | nM | 4.76 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
| Unchecked | IC50 | = | 17400.0 | nM | 4.76 | PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co... | - |
| C-X-C chemokine receptor type 5 | IC50 | = | 24253.0 | nM | 4.62 | PUBCHEM_BIOASSAY: SAR analysis counterscreen of small molecule antagonists of th... | - |
Data from ChEMBL 36 via Core Engine