Compound Detail
CHEMBL337962
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Basic Information
| ChEMBL ID | CHEMBL337962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXOROSQPTDHFJJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
499.6
MW (Da)
5.16
ALogP
4
HBA
3
HBD
97.3
PSA (Ų)
0.42
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 3 CHEMBL3473 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.28 | 8.28 | 5.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 14.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 3 | IC50 | = | 1.0 | nM | 9.0 | Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) e... | 12166951 |
| Unchecked | IC50 | = | 5.3 | nM | 8.28 | The compound was evaluated for its intracellular calcium mobilization | 12166951 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12166951 | 10.1021/jm0201767 | Unchecked | 2 |
| 12166951 | 10.1021/jm0201767 | C-C chemokine receptor type 3 | 1 |
| - | 10.6019/CHEMBL3301361 | ADMET | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine