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Compound Detail

CHEMBL515705

ARJUNIC ACID
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CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1O

Basic Information

ChEMBL ID CHEMBL515705
Name ARJUNIC ACID
Phase Preclinical
Structure Type MOL
InChI Key XJMYUPJDAFKICJ-YZTGESMESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

488.7
MW (Da)
5.18
ALogP
4
HBA
4
HBD
98.0
PSA (Ų)
0.38
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 C30H48O5
MW 488.71
Aromatic Rings 0
Heavy Atoms 35
NP-Likeness 3.16

Literature References

PubMed DOI Target Context # Activities
11277757 10.1021/np000486x Hepatocyte 6
27890380 10.1016/j.bmcl.2016.11.039 Unchecked 3
11473413 10.1021/np0100237 NON-PROTEIN TARGET 1
27890380 10.1016/j.bmcl.2016.11.039 Pancreatic alpha-amylase 1

Data from ChEMBL 36 via Core Engine