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Compound Detail

CHEMBL554032

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CCCn1ccc(CC(C)N)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL554032
Phase Preclinical
Structure Type MOL
InChI Key VKORMZSTGMIZMP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

166.3
MW (Da)
1.79
ALogP
2
HBA
1
HBD
30.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H18N2
MW 166.27
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -0.47

Literature References

PubMed DOI Target Context # Activities
2213830 10.1021/jm00172a016 Serotonin 2 (5-HT2) receptor 1
2213830 10.1021/jm00172a016 5-hydroxytryptamine receptor 1A 1

Data from ChEMBL 36 via Core Engine