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Compound Detail

CHEMBL3786458

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CC(C)(C)c1ccc(-c2ccc3cc(C(=O)N[C@H]4CN5CCC4CC5)cn3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3786458
Phase Preclinical
Structure Type MOL
InChI Key SLMUCUSKFJTDLB-DEOSSOPVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

401.6
MW (Da)
4.73
ALogP
3
HBA
1
HBD
36.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H31N3O
MW 401.55
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.64

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