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Compound Detail

CHEMBL5590804

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CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@@]2(C)C3=CC[C@@H]([C@H]4COC(=O)C4)[C@]3(C)CC[C@@H]2[C@@]2(C)[C@@H](O)C[C@@H](O)C(C)(C)[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5590804
Phase Preclinical
Structure Type MOL
InChI Key OKWWJQLNKILDNP-PHDKLYAMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

532.7
MW (Da)
3.57
ALogP
8
HBA
2
HBD
119.4
PSA (Ų)
0.32
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H44O8
MW 532.67
Aromatic Rings 0
Heavy Atoms 38
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