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Compound Detail

CHEMBL475139

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CC1(C)O[C@@H]2[C@H](O1)[C@@H](O)C=C1c3cc4c(c(O)c3CN[C@H]12)OCO4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL475139
Phase Preclinical
Structure Type MOL
InChI Key OLCOUKLDIJVTFB-SFXCNKRSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

333.3
MW (Da)
0.87
ALogP
7
HBA
3
HBD
89.4
PSA (Ų)
0.65
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 C17H19NO6
MW 333.34
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 2.15

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