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Compound Detail

CHEMBL89943

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CN1CCC(Oc2ccccn2)C1

Basic Information

ChEMBL ID CHEMBL89943
Phase Preclinical
Structure Type MOL
InChI Key DYDHHAHLVCSNJZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

178.2
MW (Da)
1.16
ALogP
3
HBA
0
HBD
25.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H14N2O
MW 178.24
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -1.35

Literature References

PubMed DOI Target Context # Activities
10509928 10.1016/s0960-894x(99)00462-x Neuronal acetylcholine receptor; alpha4/beta2 1

Data from ChEMBL 36 via Core Engine