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Compound Detail

CHEMBL190618

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CCN(C)CCc1ccc(CCc2ccccc2)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL190618
Phase Preclinical
Structure Type MOL
InChI Key XWOFQJCRPGZMNW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

268.4
MW (Da)
3.36
ALogP
2
HBA
0
HBD
16.1
PSA (Ų)
0.77
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 C18H24N2
MW 268.40
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.91

Literature References

PubMed DOI Target Context # Activities
15925512 10.1016/j.bmcl.2005.04.072 Neuronal acetylcholine receptor; alpha4/beta2 1
16039854 10.1016/j.bmcl.2005.06.053 Neuronal acetylcholine receptor; alpha4/beta2 1

Data from ChEMBL 36 via Core Engine