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Compound Detail

CHEMBL5289820

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CC1=CC[C@H]([C@@H](C)[C@H]2CC[C@@]3(C)CCC[C@H]4C(C)(C)O[C@@H]5CC(=O)O[C@@]54CC(=O)[C@H](O)C[C@]23C)OC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5289820
Phase Preclinical
Structure Type MOL
InChI Key KXDAONTWABABKA-QVMCBTAXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

516.7
MW (Da)
4.68
ALogP
7
HBA
1
HBD
99.1
PSA (Ų)
0.53
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H44O7
MW 516.68
Aromatic Rings 0
Heavy Atoms 37
NP-Likeness 3.29

Literature References

PubMed DOI Target Context # Activities
29353722 10.1016/j.ejmech.2018.01.011 Hepatocyte 1

Data from ChEMBL 36 via Core Engine