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Compound Detail

CHEMBL3785578

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CN(C)c1cccc(-c2cccc3cc(C(=O)N[C@H]4CN5CCC4CC5)cn23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3785578
Phase Preclinical
Structure Type MOL
InChI Key QNXQZZWWBPUBRP-QFIPXVFZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

388.5
MW (Da)
3.50
ALogP
4
HBA
1
HBD
40.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H28N4O
MW 388.52
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.82

Literature References

PubMed DOI Target Context # Activities
26994846 10.1016/j.ejmech.2016.03.016 Neuronal acetylcholine receptor subunit alpha-7 2

Data from ChEMBL 36 via Core Engine