Compound Detail
CHEMBL369073
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Basic Information
| ChEMBL ID | CHEMBL369073 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUWGKLBUZJCNKG-AHKZPQOWSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
447.6
MW (Da)
5.52
ALogP
3
HBA
2
HBD
61.4
PSA (Ų)
0.55
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.26
IC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 3 CHEMBL3473 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.26 | 5.4933 | 550.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 3 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of [125I]eotaxin binding to human C-C chemokine receptor type 3 expre... | 15771462 |
| Unchecked | Ki | = | 550.0 | nM | 6.26 | Inhibitory constant for Dopamine receptor D2 | 15771462 |
| Unchecked | Ki | = | 6000.0 | nM | 5.22 | Inhibitory constant for 5-hydroxytryptamine 2A receptor | 15771462 |
| Unchecked | Ki | = | 10000.0 | nM | 5.0 | Inhibitory constant for 5-hydroxytryptamine 2C receptor | 15771462 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15771462 | 10.1021/jm049530m | Unchecked | 3 |
| 15771462 | 10.1021/jm049530m | C-C chemokine receptor type 3 | 1 |
Data from ChEMBL 36 via Core Engine