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Compound Detail

CHEMBL3354505

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COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1Nc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3354505
Phase Preclinical
Structure Type MOL
InChI Key UENSYHJVJZBZBU-RBBKRZOGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

447.5
MW (Da)
5.03
ALogP
6
HBA
1
HBD
66.0
PSA (Ų)
0.46
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29NO5
MW 447.53
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness 0.44

Literature References

PubMed DOI Target Context # Activities
25571795 10.1016/j.bmcl.2014.12.061 A549 2

Data from ChEMBL 36 via Core Engine