Compound Detail
CHEMBL3261725
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CC(C)=CCc1c(O)cc2oc3cc(O)c(OCc4cn(CC(=O)OC(C)(C)C)nn4)c(CC=C(C)C)c3c(=O)c2c1O
Basic Information
| ChEMBL ID | CHEMBL3261725 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XIHLUNSYIDXUJY-UHFFFAOYSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
591.7
MW (Da)
5.59
ALogP
11
HBA
3
HBD
157.1
PSA (Ų)
0.13
QED
3
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24717154 | 10.1016/j.bmcl.2014.03.047 | NCI-H460 | 1 |
| 24717154 | 10.1016/j.bmcl.2014.03.047 | SW-620 | 1 |
| 24717154 | 10.1016/j.bmcl.2014.03.047 | ASPC1 | 1 |
| 24717154 | 10.1016/j.bmcl.2014.03.047 | MDA-MB-231 | 1 |
| 26508549 | 10.1016/j.bmcl.2015.10.034 | Isocitrate dehydrogenase [NADP] cytoplasmic | 1 |
Data from ChEMBL 36 via Core Engine