Compound Detail
CHEMBL2368668
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
COC1=C(C)C(=O)c2c(c(COC(N)=O)c3n2CC(N)C3OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)C1=O
Basic Information
| ChEMBL ID | CHEMBL2368668 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPAVPYRFGNRJLH-HDCAMDFKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
641.5
MW (Da)
-1.93
ALogP
16
HBA
6
HBD
286.9
PSA (Ų)
0.16
QED
3
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 6.66 | 5.895 | 220.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 220.0 | nM | 6.66 | Inhibitory concentration on parentral (sensitive) L1210 leukemia cells. | 1906107 |
| L1210 | IC50 | = | 7390.0 | nM | 5.13 | Inhibitory concentration on multidrug-resistant L1210 leukemia cells. | 1906107 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1906107 | 10.1021/jm00111a004 | L1210 | 2 |
| 1906107 | 10.1021/jm00111a004 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine