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Compound Detail

CHEMBL1774416

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CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)OC(=O)C=C3[C@@]21C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1774416
Phase Preclinical
Structure Type MOL
InChI Key AJBUFFHLKFFHRG-RPHKCIOSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

386.5
MW (Da)
3.77
ALogP
5
HBA
0
HBD
69.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C23H30O5
MW 386.49
Aromatic Rings 0
Heavy Atoms 28
NP-Likeness 3.37

Literature References

PubMed DOI Target Context # Activities
21381696 10.1021/np100783k NON-PROTEIN TARGET 2
21381696 10.1021/np100783k HL-60 1
21381696 10.1021/np100783k A549 1
21381696 10.1021/np100783k SK-BR-3 1

Data from ChEMBL 36 via Core Engine