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Compound Detail

CHEMBL166214

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CN1CCN(c2ccc3c(n2)-c2ccccc2CCC3)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL166214
Phase Preclinical
Structure Type MOL
InChI Key YVROTQFTYDFCRH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

293.4
MW (Da)
2.99
ALogP
3
HBA
0
HBD
19.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23N3
MW 293.41
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.29

Literature References

PubMed DOI Target Context # Activities
9513601 10.1021/jm970645i Serotonin 3 (5-HT3) receptor 2

Data from ChEMBL 36 via Core Engine