Compound Detail
CHEMBL400901
ARBORICINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL400901 |
| Name | ARBORICINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFTPZTQGJQXTIP-VDFLQNNISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
3.62
ALogP
2
HBA
1
HBD
36.1
PSA (Ų)
0.82
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.43 | 4.43 | 36700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 36700.0 | nM | 4.43 | Cytotoxicity against vincristine-resistant human KB/VJ300 cells in presence of 0... | 17665953 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17665953 | 10.1021/np0702234 | NON-PROTEIN TARGET | 2 |
| 17665953 | 10.1021/np0702234 | KB | 1 |
| 17665953 | 10.1021/np0702234 | Jurkat | 1 |
Data from ChEMBL 36 via Core Engine