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Compound Detail

CHEMBL515744

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O=C1c2c(cc3c(c2OCc2ccccc2)OCO3)C2=C[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2N1Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL515744
Phase Preclinical
Structure Type MOL
InChI Key HFRAVIVJXGGNLL-KTJVCJKDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

487.5
MW (Da)
2.50
ALogP
7
HBA
3
HBD
108.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H25NO7
MW 487.51
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness 0.64

Literature References

PubMed DOI Target Context # Activities
19199649 10.1021/jm8013585 PC-3 1
19199649 10.1021/jm8013585 NON-PROTEIN TARGET 1
19199649 10.1021/jm8013585 BXPC-3 1
19199649 10.1021/jm8013585 LoVo 1
19199649 10.1021/jm8013585 A549 1
19199649 10.1021/jm8013585 MCF7 1
19199649 10.1021/jm8013585 No relevant target 1

Data from ChEMBL 36 via Core Engine