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Compound Detail

CHEMBL517110

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CCOC(=O)COc1c2c(cc3c1C(=O)N[C@@H]1C3=C[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL517110
Phase Preclinical
Structure Type MOL
InChI Key GZAOCCXSDZGEKL-DLBBVRJLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

519.5
MW (Da)
0.66
ALogP
12
HBA
1
HBD
162.0
PSA (Ų)
0.40
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25NO12
MW 519.46
Aromatic Rings 1
Heavy Atoms 37
NP-Likeness 1.27

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