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Compound Detail

CHEMBL2205088

PARGUESTEROL B
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C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(C=O)[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C

Basic Information

ChEMBL ID CHEMBL2205088
Name PARGUESTEROL B
Phase Preclinical
Structure Type MOL
InChI Key ARROHAGMYMXOMB-CHAFXPNMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

430.7
MW (Da)
5.78
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C28H46O3
MW 430.67
Aromatic Rings 0
Heavy Atoms 31
NP-Likeness 2.87

Literature References

PubMed DOI Target Context # Activities
22280816 10.1016/j.ejmech.2011.12.029 Unchecked 1
22280816 10.1016/j.ejmech.2011.12.029 Vero 1
22280816 10.1016/j.ejmech.2011.12.029 Mycobacterium tuberculosis 1

Data from ChEMBL 36 via Core Engine