Compound Detail
CHEMBL6045306
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CC(C)(NC(=O)[C@@H]1CN(C2CCCCC2)CC[C@H]1NC(=O)c1cc(-c2ccc(F)cc2F)on1)c1ccccn1
Basic Information
| ChEMBL ID | CHEMBL6045306 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RAIGYWMMZVOOQS-ISKFKSNPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
551.6
MW (Da)
4.82
ALogP
6
HBA
2
HBD
100.4
PSA (Ų)
0.44
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Atypical chemokine receptor 3 CHEMBL2010631 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Atypical chemokine receptor 3 | IC50 | = | 0.3 | nM | 9.52 | In Vitro Assay: Tango CXCR7-bla U2OS cells are detached from culture dishes with... | - |
Data from ChEMBL 36 via Core Engine