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Compound Detail

CHEMBL461696

TRIPTERYGIC ACID A
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C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)[C@@H](O)C[C@H]1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL461696
Name TRIPTERYGIC ACID A
Phase Preclinical
Structure Type MOL
InChI Key IWVWTVWLRSUYNC-YLOASUEESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

472.7
MW (Da)
6.06
ALogP
3
HBA
3
HBD
77.8
PSA (Ų)
0.41
QED
1
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 C30H48O4
MW 472.71
Aromatic Rings 0
Heavy Atoms 34
NP-Likeness 2.95

Literature References

PubMed DOI Target Context # Activities
14510595 10.1021/np0301543 Aldo-keto reductase family 1 member B1 2

Data from ChEMBL 36 via Core Engine