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Compound Detail

CHEMBL371397

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NC(=O)COc1ccc2c(c1)CC1CNCC2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL371397
Phase Preclinical
Structure Type MOL
InChI Key PBCHRHOZYJERLA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

246.3
MW (Da)
0.80
ALogP
3
HBA
2
HBD
64.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H18N2O2
MW 246.31
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.05

Literature References

PubMed DOI Target Context # Activities
15908213 10.1016/j.bmcl.2005.04.036 Neuronal acetylcholine receptor; alpha4/beta2 1

Data from ChEMBL 36 via Core Engine