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Compound Detail

CHEMBL1812594

BENJAMINAMIDE
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CCCCC/C=C/CCCCCCC[C@@H](O)[C@@H](O)[C@H](CO)NC(=O)[C@H](O)CCCCCCCCCCCCCCCCCCCCCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1812594
Name BENJAMINAMIDE
Phase Preclinical
Structure Type MOL
InChI Key SOZSUYGVBDXLLZ-HSMPPUOJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

682.1
MW (Da)
10.63
ALogP
5
HBA
5
HBD
110.0
PSA (Ų)
0.03
QED
2
Ro5 Violations
38
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C42H83NO5
MW 682.13
Aromatic Rings 0
Heavy Atoms 48
NP-Likeness 1.06

Literature References

PubMed DOI Target Context # Activities
21619045 10.1021/np100896w Enoyl-acyl-carrier protein reductase 2
21619045 10.1021/np100896w Unchecked 2

Data from ChEMBL 36 via Core Engine