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Compound Detail

CHEMBL162219

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CN1CCN(c2cccc(C34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)n2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL162219
Phase Preclinical
Structure Type MOL
InChI Key CRBZZBTTWZRNMO-HBNZNPKYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

311.5
MW (Da)
3.30
ALogP
3
HBA
0
HBD
19.4
PSA (Ų)
0.84
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 C20H29N3
MW 311.47
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -1.04

Literature References

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

Data from ChEMBL 36 via Core Engine