Compound Detail
CHEMBL277871
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Basic Information
| ChEMBL ID | CHEMBL277871 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBBPRCNXBQTYLF-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
92.2
MW (Da)
0.34
ALogP
2
HBA
1
HBD
20.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.16
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| V79 CHEMBL614074 | IC50 | 4.16 | 4.16 | 69100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| V79 | IC50 | = | 69100.0 | nM | 4.16 | In vitro cytotoxicity against V-79 chinese hamster lung fibroblasts (3 hr drug e... | 15239662 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 4032433 | 10.1021/jm00147a033 | Choline O-acetyltransferase | 2 |
| 15239662 | 10.1021/jm0304764 | V79 | 1 |
| 9934462 | 10.1016/s0960-894x(98)00642-8 | Methionine--tRNA ligase | 1 |
| 15149650 | 10.1016/j.bmcl.2004.04.020 | Sodium- and chloride-dependent creatine transporter 1 | 1 |
Data from ChEMBL 36 via Core Engine