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Compound Detail

CHEMBL448328

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C[N+](C)(C)C(Cc1c[nH]c2ccccc12)C(=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL448328
Phase Preclinical
Structure Type MOL
InChI Key AOHCBEAZXHZMOR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

246.3
MW (Da)
0.54
ALogP
2
HBA
1
HBD
55.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C14H18N2O2
MW 246.31
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.31

Literature References

PubMed DOI Target Context # Activities
28911817 10.1016/j.bmcl.2017.08.047 BV-2 1

Data from ChEMBL 36 via Core Engine