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Compound Detail

CHEMBL472585

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CC(=O)Nc1ccccc1[C@H]1C[C@@H]1CN.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL472585
Phase Preclinical
Structure Type MOL
InChI Key QDTVDASUZYUYSB-XQKZEKTMSA-N
Parent Compound CHEMBL1186607
Active Moiety CHEMBL1186607
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

204.3
MW (Da)
1.71
ALogP
2
HBA
2
HBD
55.1
PSA (Ų)
0.79
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 C12H17ClN2O
MW 240.73
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.17

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