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Compound Detail

CHEMBL3104829

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CCCCCCCCCCCCCCCCCC(=O)OC1=C(CC=C(C)C)C(=O)c2ccccc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3104829
Phase Preclinical
Structure Type MOL
InChI Key YJTZPDHLYHGADP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

508.7
MW (Da)
9.48
ALogP
4
HBA
0
HBD
60.4
PSA (Ų)
0.11
QED
2
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H48O4
MW 508.74
Aromatic Rings 1
Heavy Atoms 37
NP-Likeness 0.87

Literature References

PubMed DOI Target Context # Activities
24374273 10.1016/j.bmcl.2013.12.049 NON-PROTEIN TARGET 2
24374273 10.1016/j.bmcl.2013.12.049 No relevant target 1
24374273 10.1016/j.bmcl.2013.12.049 LoVo 1
24374273 10.1016/j.bmcl.2013.12.049 PC-3 1
24374273 10.1016/j.bmcl.2013.12.049 SK-MEL-28 1
24374273 10.1016/j.bmcl.2013.12.049 A549 1

Data from ChEMBL 36 via Core Engine