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Compound Detail

CHEMBL2409794

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CCCOc1ccc(C(=O)Nc2cccc(N3CCCCC3)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2409794
Phase Preclinical
Structure Type MOL
InChI Key LAGYHIIWMHWNJA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

339.4
MW (Da)
4.11
ALogP
4
HBA
1
HBD
54.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25N3O2
MW 339.44
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.77

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