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Compound Detail

CHEMBL4750329

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c1cc2c(c(CC3CCC3)n1)CC[C@@H]1CNCCN21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4750329
Phase Preclinical
Structure Type MOL
InChI Key XTFPZVLQJQUVFI-CYBMUJFWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

257.4
MW (Da)
2.15
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H23N3
MW 257.38
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.21

Literature References

PubMed DOI Target Context # Activities
33636307 10.1016/j.bmcl.2021.127872 5-hydroxytryptamine receptor 2A 1
33636307 10.1016/j.bmcl.2021.127872 5-hydroxytryptamine receptor 2B 1
33636307 10.1016/j.bmcl.2021.127872 5-hydroxytryptamine receptor 2C 1

Data from ChEMBL 36 via Core Engine