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Compound Detail

CHEMBL5589628

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CC(C)=CC(O)C[C@H](C)[C@@H]1CC[C@]2(C)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5589628
Phase Preclinical
Structure Type MOL
InChI Key XGDYZWWBMOUVPO-LKRAGJJJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

442.7
MW (Da)
7.31
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.45
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C30H50O2
MW 442.73
Aromatic Rings 0
Heavy Atoms 32
NP-Likeness 3.64

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