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Compound Detail

CHEMBL2409792

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CCCOc1ccc(C(=O)Nc2cccc(Nc3ccc(OC)cc3)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2409792
Phase Preclinical
Structure Type MOL
InChI Key KIBMHVXBZLTFFS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

377.4
MW (Da)
4.87
ALogP
5
HBA
2
HBD
72.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23N3O3
MW 377.44
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.27

Literature References

PubMed DOI Target Context # Activities
23757208 10.1016/j.bmc.2013.03.082 Neuronal acetylcholine receptor; alpha3/beta4 2
23757208 10.1016/j.bmc.2013.03.082 Neuronal acetylcholine receptor; alpha4/beta2 2
23757208 10.1016/j.bmc.2013.03.082 Unchecked 1

Data from ChEMBL 36 via Core Engine