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Compound Detail

CHEMBL516233

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Oc1c2c(cc3c1OCO3)C1=C[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1NC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL516233
Phase Preclinical
Structure Type MOL
InChI Key NPOIXEXHLCUVEG-PMEZXALUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

293.3
MW (Da)
-0.93
ALogP
7
HBA
5
HBD
111.4
PSA (Ų)
0.42
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H15NO6
MW 293.27
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 2.20

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