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Compound Detail

CHEMBL92417

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CCN(C)CCc1c(-c2ccco2)[nH]c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL92417
Phase Preclinical
Structure Type MOL
InChI Key CIXYYTIQIAPPSA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

268.4
MW (Da)
3.92
ALogP
2
HBA
1
HBD
32.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20N2O
MW 268.36
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.94

Literature References

PubMed DOI Target Context # Activities
11133071 10.1016/s0960-894x(00)00557-6 5-hydroxytryptamine receptor 2A 1
11133071 10.1016/s0960-894x(00)00557-6 5-hydroxytryptamine receptor 2C 1
11133071 10.1016/s0960-894x(00)00557-6 D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine