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Compound Detail

CHEMBL2205104

SARMENTINE
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CCCCC/C=C/C=C/C(=O)N1CCCC1

Basic Information

ChEMBL ID CHEMBL2205104
Name SARMENTINE
Phase Preclinical
Structure Type MOL
InChI Key BFZBGTMIBOQWBA-HRCSPUOPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

221.3
MW (Da)
3.30
ALogP
1
HBA
0
HBD
20.3
PSA (Ų)
0.38
QED
0
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 C14H23NO
MW 221.34
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 0.80

Literature References

PubMed DOI Target Context # Activities
20839888 10.1021/jf102087c Echinochloa crus-galli 2
20839888 10.1021/jf102087c Poa annua 1
28628823 10.1016/j.ejmech.2017.06.005 Mycobacterium tuberculosis 1
25241925 10.1016/j.bmcl.2014.08.063 A549 1
20839888 10.1021/jf102087c Amaranthus retroflexus 1
20839888 10.1021/jf102087c Convolvulus arvensis 1
20839888 10.1021/jf102087c Digitaria sanguinalis 1
20839888 10.1021/jf102087c Erigeron canadensis 1
20839888 10.1021/jf102087c Cyperus difformis 1
20839888 10.1021/jf102087c Leptochloa 1
20839888 10.1021/jf102087c Taraxacum officinale 1
20839888 10.1021/jf102087c Chenopodium album 1
22280816 10.1016/j.ejmech.2011.12.029 Mycobacterium tuberculosis 1
20839888 10.1021/jf102087c Sinapis arvensis 1
20839888 10.1021/jf102087c Solanum nigrum 1
20839888 10.1021/jf102087c Rumex crispus 1
20839888 10.1021/jf102087c Zea mays 1
20839888 10.1021/jf102087c Triticum aestivum 1
20839888 10.1021/jf102087c Oryza sativa 1
22985027 10.1021/jm301064b HL-60 1

Data from ChEMBL 36 via Core Engine