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Compound Detail

CHEMBL190754

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O=c1oc2ccc3c(c2o1)CC1CNCC3C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL190754
Phase Preclinical
Structure Type MOL
InChI Key DXXNAIKGDBZSSY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

231.2
MW (Da)
1.64
ALogP
4
HBA
1
HBD
55.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H13NO3
MW 231.25
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness 0.73

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