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Compound Detail

CHEMBL3422586

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CN1CCN(CCCCC(=O)Nc2cc(-c3ccccc3)[nH]n2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3422586
Phase Preclinical
Structure Type MOL
InChI Key NAVDSNYAYFHPSD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

341.5
MW (Da)
2.43
ALogP
4
HBA
2
HBD
64.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H27N5O
MW 341.46
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.60

Literature References

PubMed DOI Target Context # Activities
25827398 10.1016/j.ejmech.2015.03.025 Neuronal acetylcholine receptor subunit alpha-7 1
25827398 10.1016/j.ejmech.2015.03.025 Neuronal acetylcholine receptor; alpha4/beta2 1
25827398 10.1016/j.ejmech.2015.03.025 Neuronal acetylcholine receptor; alpha3/beta4 1

Data from ChEMBL 36 via Core Engine