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Compound Detail

CHEMBL5590597

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CC1(C)C(=O)CC[C@@]2(C)C1CC=C1[C@@H]2CC[C@@]2(C)[C@H](C3CO[C@@H](C(C)(C)O)[C@H](O)C3)CC[C@]12C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5590597
Phase Preclinical
Structure Type MOL
InChI Key RNETYSXHFSDFMM-RBJHYMMKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

472.7
MW (Da)
5.70
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.51
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C30H48O4
MW 472.71
Aromatic Rings 0
Heavy Atoms 34
NP-Likeness 3.54

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