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Compound Detail

CHEMBL3318624

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O=C(CCCCCc1ccccc1)n1cccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3318624
Phase Preclinical
Structure Type MOL
InChI Key AMSJDUARDZGBLS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

242.3
MW (Da)
3.33
ALogP
3
HBA
0
HBD
34.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H18N2O
MW 242.32
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.86

Literature References

PubMed DOI Target Context # Activities
25037918 10.1016/j.bmcl.2014.06.063 No relevant target 1
25037918 10.1016/j.bmcl.2014.06.063 Fatty-acid amide hydrolase 1 1
30879861 10.1016/j.bmc.2019.03.020 Unchecked 1

Data from ChEMBL 36 via Core Engine