Compound Detail
CHEMBL3342312
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Basic Information
| ChEMBL ID | CHEMBL3342312 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNBOWVGHAYSETF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
406.4
MW (Da)
3.95
ALogP
6
HBA
2
HBD
96.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-X-C chemokine receptor type 2 CHEMBL2434 | IC50 | 6.77 | 6.765 | 170.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-X-C chemokine receptor type 2 | IC50 | = | 170.0 | nM | 6.77 | Antagonist activity at CXCR2 in human PMNs assessed as inhibition of CXCL1-induc... | 25254640 |
| C-X-C chemokine receptor type 2 | IC50 | = | 173.0 | nM | 6.76 | In Vitro Inhibition Assay: An in vitro assay showed inhibition of CXCR2-mediated... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25254640 | 10.1021/jm500827t | C-X-C chemokine receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine