Compound Detail
CHEMBL6005828
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Nc1nc2c(cnn2[C@H](C(=O)NCCc2ccccc2)c2ccccc2)c2nc(-c3ccco3)nn12
Basic Information
| ChEMBL ID | CHEMBL6005828 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AQFNHHRDYSWEKY-NRFANRHFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
478.5
MW (Da)
3.26
ALogP
9
HBA
2
HBD
129.2
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine deaminase CHEMBL1910 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine deaminase | IC50 | = | 0.6 | nM | 9.22 | Luciferase Reporter Assay: HEK293-A2AR-luc2p/CRE/Hygro cells were seeded at a de... | - |
Data from ChEMBL 36 via Core Engine