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Compound Detail

CHEMBL583716

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O[C@H]1[C@H]2c3cc4c(cc3CN3CCC(=C[C@H]1O)[C@H]23)OCO4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL583716
Phase Preclinical
Structure Type MOL
InChI Key XGVJWXAYKUHDOO-MSQAHXEGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

287.3
MW (Da)
0.75
ALogP
5
HBA
2
HBD
62.2
PSA (Ų)
0.69
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 C16H17NO4
MW 287.31
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 2.29

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