Compound Detail
CHEMBL5818178
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Cc1cccnc1CNC(=O)[C@@](C)(c1ccccc1)n1ncc2c1nc(N)n1nc(-c3ccco3)nc21
Basic Information
| ChEMBL ID | CHEMBL5818178 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDFLGGSDYOJQBJ-AREMUKBSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
493.5
MW (Da)
3.10
ALogP
10
HBA
2
HBD
142.1
PSA (Ų)
0.36
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine deaminase CHEMBL1910 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine deaminase | IC50 | = | 0.5 | nM | 9.3 | Luciferase Reporter Assay: HEK293-A2AR-luc2p/CRE/Hygro cells were seeded at a de... | - |
Data from ChEMBL 36 via Core Engine