Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL492457

DIOSPYRIC ACID B
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL492457
Name DIOSPYRIC ACID B
Phase Preclinical
Structure Type MOL
InChI Key UIEGOKVPCRANSU-NASGHRROSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

502.7
MW (Da)
5.27
ALogP
4
HBA
4
HBD
115.1
PSA (Ų)
0.38
QED
2
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 C30H46O6
MW 502.69
Aromatic Rings 0
Heavy Atoms 36
NP-Likeness 3.14

Literature References

PubMed DOI Target Context # Activities
18798681 10.1021/np800298w Tyrosine-protein phosphatase non-receptor type 1 1

Data from ChEMBL 36 via Core Engine