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Compound Detail

CHEMBL419700

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C1=C(c2cccnc2-c2ccccc2)C2CCC(CC1)N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL419700
Phase Preclinical
Structure Type MOL
InChI Key ULJPZVLIHRAUKR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

276.4
MW (Da)
4.05
ALogP
2
HBA
1
HBD
24.9
PSA (Ų)
0.89
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 C19H20N2
MW 276.38
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.56

Literature References

PubMed DOI Target Context # Activities
14611837 10.1016/s0960-894x(03)00594-8 Neuronal acetylcholine receptor; alpha4/beta2 1
14611837 10.1016/s0960-894x(03)00594-8 Neuronal acetylcholine receptor; alpha3/beta2 1
14611837 10.1016/s0960-894x(03)00594-8 Neuronal acetylcholine receptor subunit alpha-7 1

Data from ChEMBL 36 via Core Engine