Compound Detail
CHEMBL123308
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Basic Information
| ChEMBL ID | CHEMBL123308 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BAXRBHJRTJSVAQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
2
Publications
0
Known Names
Molecular Properties
473.5
MW (Da)
6.54
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.50
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 3 CHEMBL3473 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 117.67 | mL.min-1.kg-1 | Rattus norvegicus |
| T1/2 | 3.5 | hr | Rattus norvegicus |
| Vd | 30.1 | L.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 3 | IC50 | = | 1800.0 | nM | 5.75 | Binding affinity was determined towards C-C chemokine receptor type 3 using [125... | 14505678 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14505678 | 10.1016/s0960-894x(03)00748-0 | Rattus norvegicus | 3 |
| 14505678 | 10.1016/s0960-894x(03)00748-0 | C-C chemokine receptor type 3 | 2 |
Data from ChEMBL 36 via Core Engine