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Compound Detail

CHEMBL460314

SOLAPALMITINE
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CCCCCCCCCCCCCCCC(=O)N(CCCCN(C)C)CCCCN(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL460314
Name SOLAPALMITINE
Phase Preclinical
Structure Type MOL
InChI Key VEHJXNZJUVYBQN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

453.8
MW (Da)
6.98
ALogP
3
HBA
0
HBD
26.8
PSA (Ų)
0.15
QED
1
Ro5 Violations
24
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C28H59N3O
MW 453.80
Aromatic Rings 0
Heavy Atoms 32
NP-Likeness -0.34

Literature References

PubMed DOI Target Context # Activities
18834112 10.1021/jm800656v Amine oxidase [flavin-containing] A 1

Data from ChEMBL 36 via Core Engine