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Compound Detail

CHEMBL4218242

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

Basic Information

ChEMBL ID CHEMBL4218242
Phase Preclinical
Structure Type MOL
InChI Key GNLIHSBTKXKQNZ-DOJQEADBSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

476.6
MW (Da)
4.24
ALogP
6
HBA
2
HBD
93.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C28H44O6
MW 476.65
Aromatic Rings 0
Heavy Atoms 34
NP-Likeness 2.86

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
28240909 10.1021/acs.jnatprod.7b00006 Unchecked 1
28240909 10.1021/acs.jnatprod.7b00006 HeLa 1

Data from ChEMBL 36 via Core Engine