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Compound Detail

CHEMBL3786288

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Cl.O=C(N[C@H]1CN2CCC1CC2)c1cc(C(=O)c2ccccc2Br)n2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3786288
Phase Preclinical
Structure Type MOL
InChI Key JGLPOUXHXLGTNC-FYZYNONXSA-N
Parent Compound CHEMBL3787792
Active Moiety CHEMBL3787792
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

452.4
MW (Da)
3.76
ALogP
4
HBA
1
HBD
53.8
PSA (Ų)
0.61
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 C23H23BrClN3O2
MW 488.81
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