Compound Detail
CHEMBL4576288
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cn1ccc2c3c(-c4ccco4)ncnc3n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c21
Basic Information
| ChEMBL ID | CHEMBL4576288 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBPLBIMREGLWNO-XKLVTHTNSA-N |
12
Targets
15
Activities
2
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
370.4
MW (Da)
0.79
ALogP
9
HBA
3
HBD
118.7
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 13 meas. best 5.87
EC50 2 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 6.47 | 6.29 | 340.0 | 2 |
| CCRF-CEM CHEMBL382 | IC50 | 5.87 | 5.87 | 1360.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.66 | 5.64 | 2170.0 | 2 |
| HeLa S3 CHEMBL4296436 | IC50 | 5.53 | 5.53 | 2970.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| U2OS CHEMBL615023 | IC50 | 5.46 | 5.46 | 3490.0 | 1 |
| Adenosine kinase CHEMBL3589 | IC50 | 5.45 | 5.45 | 3580.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 5.42 | 5.41 | 3820.0 | 2 |
| K562 CHEMBL385 | IC50 | 5.39 | 5.39 | 4030.0 | 1 |
| BJ CHEMBL614358 | IC50 | 5.27 | 5.27 | 5360.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.24 | 5.24 | 5730.0 | 1 |
| MRC5 CHEMBL614181 | IC50 | 5.23 | 5.23 | 5890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine