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Compound Detail

CHEMBL1094092

AKHDARDIOL
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C=C[C@@]1(C)CC[C@H]2[C@@](O)(CC[C@H]3[C@@](C)(CO)CCC[C@@]32C)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1094092
Name AKHDARDIOL
Phase Preclinical
Structure Type MOL
InChI Key RIQATFSOVFFVRX-HMGBVJPOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

306.5
MW (Da)
4.31
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H34O2
MW 306.49
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness 3.26

Literature References

PubMed DOI Target Context # Activities
20402524 10.1021/np900814s HepG2 1
20402524 10.1021/np900814s HL-60 1
20402524 10.1021/np900814s Jurkat 1
20402524 10.1021/np900814s U-937 1

Data from ChEMBL 36 via Core Engine