Compound Detail
CHEMBL182855
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
CC(O)CNc1nc(NCc2ccc3c(c2)OCO3)c2nc(NCC(C)O)nc(NCc3ccc4c(c3)OCO4)c2n1
Basic Information
| ChEMBL ID | CHEMBL182855 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FZDLWKRPNJZIIA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
576.6
MW (Da)
2.69
ALogP
14
HBA
6
HBD
177.1
PSA (Ų)
0.15
QED
3
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 260.0 | nM | 6.58 | Inhibition of [3H]thymidine uptake in L1210 cells | 15369395 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15369395 | 10.1021/jm040772w | L1210 | 5 |
Data from ChEMBL 36 via Core Engine