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Compound Detail

CHEMBL5278828

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C/C(=C\[C@H]1C[C@@](O)([C@@H]2CC[C@]34C[C@]23CC[C@@H]2[C@@]3(C)Cc5oc(-c6ccccc6)cc5C(C)(C)[C@@H]3C[C@H](O)[C@]24C)C(=O)O1)CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5278828
Phase Preclinical
Structure Type MOL
InChI Key RCFLFRFZDDVUMV-KGADFDJGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

600.8
MW (Da)
6.36
ALogP
6
HBA
3
HBD
100.1
PSA (Ų)
0.28
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H48O6
MW 600.80
Aromatic Rings 2
Heavy Atoms 44
NP-Likeness 2.51

Literature References

PubMed DOI Target Context # Activities
36583957 10.1021/acs.jnatprod.2c00971 HL-60 1
36583957 10.1021/acs.jnatprod.2c00971 A549 1

Data from ChEMBL 36 via Core Engine