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Compound Detail

CHEMBL2287715

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C#CC#CCCCC/C=C/C(=O)NCC(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2287715
Phase Preclinical
Structure Type MOL
InChI Key YKYOIMJLSMZUBA-VAWYXSNFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

231.3
MW (Da)
2.51
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H21NO
MW 231.34
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 1.41

Literature References

PubMed DOI Target Context # Activities
21953851 10.1002/ps.2274 Tetragonisca angustula 3
21953851 10.1002/ps.2274 Solenopsis saevissima 3
21953851 10.1002/ps.2274 Tuta absoluta 2
21953851 10.1002/ps.2274 Unchecked 2
30816712 10.1021/acs.jnatprod.8b00874 Cannabinoid receptor 1 1
30816712 10.1021/acs.jnatprod.8b00874 Cannabinoid receptor 2 1

Data from ChEMBL 36 via Core Engine