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Compound Detail

CHEMBL3786664

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O=C(N[C@H]1CN2CCC1CC2)c1cc2c(Cl)cccn2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3786664
Phase Preclinical
Structure Type MOL
InChI Key XKQWXDHCHCARRD-AWEZNQCLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

303.8
MW (Da)
2.42
ALogP
3
HBA
1
HBD
36.8
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18ClN3O
MW 303.79
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.14

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