Compound Detail
CHEMBL3980279
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Basic Information
| ChEMBL ID | CHEMBL3980279 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBWWOFIQEXLSAB-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
435.5
MW (Da)
2.77
ALogP
7
HBA
3
HBD
108.0
PSA (Ų)
0.39
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 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 | 6.77 | 170.0 | 2 |
| C-X-C chemokine receptor type 1 CHEMBL4029 | IC50 | 5.94 | 5.94 | 1148.0 | 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 | In Vitro Affinity Assay: â¿¿PathHunter HEK293-CXCR2â¿ or â¿¿U2OS hCXCR1 β-arres... | - |
| C-X-C chemokine receptor type 2 | IC50 | = | 170.0 | nM | 6.77 | In Vitro Affinity Assay: The in vitro affinity of the compounds of the present i... | - |
| C-X-C chemokine receptor type 1 | IC50 | = | 1148.0 | nM | 5.94 | In Vitro Affinity Assay: â¿¿PathHunter HEK293-CXCR2â¿ or â¿¿U2OS hCXCR1 β-arres... | - |
| C-X-C chemokine receptor type 1 | IC50 | = | 1148.0 | nM | 5.94 | In Vitro Affinity Assay: The in vitro affinity of the compounds of the present i... | - |
Data from ChEMBL 36 via Core Engine