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Compound Detail

CHEMBL575315

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O=C1c2cc3c(cc2[C@@H]2[C@H](O)[C@@H](O)C[C@H]4CCN1[C@H]42)OCO3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL575315
Phase Preclinical
Structure Type MOL
InChI Key IFPUERIWYQEXME-SNRCVFPMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

303.3
MW (Da)
0.47
ALogP
5
HBA
2
HBD
79.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H17NO5
MW 303.31
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 1.40

Literature References

PubMed DOI Target Context # Activities
19788245 10.1021/jm901031h NON-PROTEIN TARGET 3
19788245 10.1021/jm901031h A549 1
19788245 10.1021/jm901031h SK-MEL-28 1
19788245 10.1021/jm901031h B16-F10 1

Data from ChEMBL 36 via Core Engine