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Compound Detail

CHEMBL252364

STIGMASTANOL
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CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL252364
Name STIGMASTANOL
Phase Preclinical
Structure Type MOL
InChI Key LGJMUZUPVCAVPU-HRJGVYIJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

416.7
MW (Da)
8.10
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.46
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 C29H52O
MW 416.73
Aromatic Rings 0
Heavy Atoms 30
NP-Likeness 2.39

Literature References

PubMed DOI Target Context # Activities
17637068 10.1021/np070038q Trypanosoma brucei brucei 1
17637068 10.1021/np070038q J774 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1

Data from ChEMBL 36 via Core Engine