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Compound Detail

CHEMBL449732

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Cl.N#Cc1ccc(-c2cccc([C@H]3C[C@@H]3CN)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL449732
Phase Preclinical
Structure Type MOL
InChI Key RJAXRWHUGFJAPO-GBNZRNLASA-N
Parent Compound CHEMBL1186099
Active Moiety CHEMBL1186099
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

248.3
MW (Da)
3.29
ALogP
2
HBA
1
HBD
49.8
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17ClN2
MW 284.79
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.42

Literature References

PubMed DOI Target Context # Activities
19284718 10.1021/jm801354e 5-hydroxytryptamine receptor 2C 2
19284718 10.1021/jm801354e 5-hydroxytryptamine receptor 2A 2
19284718 10.1021/jm801354e 5-hydroxytryptamine receptor 2B 2

Data from ChEMBL 36 via Core Engine