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Compound Detail

CHEMBL4858162

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C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/CCCC[C@@H](C)C/C=C/[C@H]3[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4858162
Phase Preclinical
Structure Type MOL
InChI Key BUKZWTVLGROJKW-GSTTUUFNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

463.6
MW (Da)
4.52
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H37NO4
MW 463.62
Aromatic Rings 1
Heavy Atoms 34
NP-Likeness 2.57

Literature References

PubMed DOI Target Context # Activities
34846891 10.1021/acs.jnatprod.1c00907 HCT-116 1
34846891 10.1021/acs.jnatprod.1c00907 HepG2 1
34846891 10.1021/acs.jnatprod.1c00907 MCF7 1

Data from ChEMBL 36 via Core Engine