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Compound Detail

CHEMBL268598

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O=C([C@@H]1CCCN1)N1CCN(Cc2ccccn2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL268598
Phase Preclinical
Structure Type MOL
InChI Key FBAPMAZOFDLVQE-AWEZNQCLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

274.4
MW (Da)
0.48
ALogP
4
HBA
1
HBD
48.5
PSA (Ų)
0.87
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 C15H22N4O
MW 274.37
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -1.56

Literature References

PubMed DOI Target Context # Activities
12467625 10.1016/s0960-894x(02)00849-1 Neuronal acetylcholine receptor; alpha4/beta2 1
12467625 10.1016/s0960-894x(02)00849-1 Neuronal acetylcholine receptor subunit alpha-7 1

Data from ChEMBL 36 via Core Engine