Compound Detail
CHEMBL1086649
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COC(=O)c1nc2c(O)cc3c(c2o1)C(CCl)CN3C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1
Basic Information
| ChEMBL ID | CHEMBL1086649 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEFKJXRNGOUEJC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
515.9
MW (Da)
3.81
ALogP
9
HBA
2
HBD
136.3
PSA (Ų)
0.29
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 8.27 | 8.27 | 5.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 5.4 | nM | 8.27 | Cytotoxicity against mouse L1210 cells | 20171886 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20171886 | 10.1016/j.bmcl.2010.01.145 | Nucleic Acid | 2 |
| 20171886 | 10.1016/j.bmcl.2010.01.145 | L1210 | 1 |
Data from ChEMBL 36 via Core Engine