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Compound Detail

CHEMBL515402

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O=C1N[C@@H]2C(=C[C@H](O)[C@@H](O)[C@H]2O)c2cc3c(c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c21)OCO3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL515402
Phase Preclinical
Structure Type MOL
InChI Key RUUNRUPODCEPNR-RIVBPKAFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

469.4
MW (Da)
-3.81
ALogP
12
HBA
8
HBD
207.6
PSA (Ų)
0.21
QED
2
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23NO12
MW 469.40
Aromatic Rings 1
Heavy Atoms 33
NP-Likeness 2.22

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