Compound Detail
CHEMBL3898933
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C[C@@H]1CN(c2scnc2-c2nc3ccc(Cl)cc3[nH]2)CCN1C(=O)Cn1ccc2cccnc21
Basic Information
| ChEMBL ID | CHEMBL3898933 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZQMHAPTLOZMNF-OAHLLOKOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
492.0
MW (Da)
4.43
ALogP
7
HBA
1
HBD
82.9
PSA (Ų)
0.40
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-X-C chemokine receptor type 3 CHEMBL4441 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-X-C chemokine receptor type 3 | IC50 | = | 0.2 | nM | 9.7 | FLIPR Assay: The bioactivity of compounds is tested in a fluorometric imaging pl... | - |
Data from ChEMBL 36 via Core Engine