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Compound Detail

CHEMBL3354504

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CCC(=O)Nc1ccc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3354504
Phase Preclinical
Structure Type MOL
InChI Key XKANVXRXOAIWGH-ZWKOTPCHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

427.5
MW (Da)
3.64
ALogP
6
HBA
1
HBD
83.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29NO6
MW 427.50
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 0.29

Literature References

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

Data from ChEMBL 36 via Core Engine