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Compound Detail

CHEMBL382471

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CC(=O)Nc1ccc2c(n1)N1[C@@H](CNC[C@H]1C)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL382471
Phase Preclinical
Structure Type MOL
InChI Key JUBBRLDMIGGZRR-LDYMZIIASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

246.3
MW (Da)
0.76
ALogP
4
HBA
2
HBD
57.3
PSA (Ų)
0.77
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 C13H18N4O
MW 246.31
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.85

Literature References

PubMed DOI Target Context # Activities
16361098 10.1016/j.bmcl.2005.11.083 5-hydroxytryptamine receptor 2C 2
16361098 10.1016/j.bmcl.2005.11.083 5-hydroxytryptamine receptor 2A 1
16361098 10.1016/j.bmcl.2005.11.083 5-hydroxytryptamine receptor 2B 1

Data from ChEMBL 36 via Core Engine