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Compound Detail

CHEMBL5583819

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CC(C)=C[C@@H]1C[C@H]([C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]23C)CO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5583819
Phase Preclinical
Structure Type MOL
InChI Key RSAYSUCTFDTOCD-YMTBBSQFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

438.7
MW (Da)
7.37
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.42
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C30H46O2
MW 438.70
Aromatic Rings 0
Heavy Atoms 32
NP-Likeness 3.29

Literature References

PubMed DOI Target Context # Activities
38970504 10.1021/acs.jnatprod.4c00313 A549 1
38970504 10.1021/acs.jnatprod.4c00313 MDA-MB-231 1
38970504 10.1021/acs.jnatprod.4c00313 MCF7 1
38970504 10.1021/acs.jnatprod.4c00313 KB 1
38970504 10.1021/acs.jnatprod.4c00313 Unchecked 1

Data from ChEMBL 36 via Core Engine