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Compound Detail

CHEMBL3582000

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CC/C(C)=C/C(=O)O[C@H]1C(=O)[C@@H](O)[C@@]2(C)CC[C@H](O2)C(C)(C)/C=C/[C@H](C)C(=O)C(O)C[C@H]1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3582000
Phase Preclinical
Structure Type MOL
InChI Key QYBXOOVCAISOJS-IBESDMMZSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

464.6
MW (Da)
3.31
ALogP
7
HBA
2
HBD
110.1
PSA (Ų)
0.37
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C26H40O7
MW 464.60
Aromatic Rings 0
Heavy Atoms 33
NP-Likeness 2.50

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
25946116 10.1021/acs.jnatprod.5b00116 HCT-116 1
25946116 10.1021/acs.jnatprod.5b00116 MCF7 1
25946116 10.1021/acs.jnatprod.5b00116 PC-3 1
25946116 10.1021/acs.jnatprod.5b00116 NON-PROTEIN TARGET 1
25946116 10.1021/acs.jnatprod.5b00116 Sindbis virus 1
25946116 10.1021/acs.jnatprod.5b00116 Semliki Forest virus 1
25946116 10.1021/acs.jnatprod.5b00116 Vero 1
25946116 10.1021/acs.jnatprod.5b00116 Unchecked 1

Data from ChEMBL 36 via Core Engine