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Compound Detail

CHEMBL328939

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CC(N)Cc1cc[nH]c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL328939
Phase Preclinical
Structure Type MOL
InChI Key XMTHAWZPEGHZPK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

124.2
MW (Da)
0.90
ALogP
1
HBA
2
HBD
41.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H12N2
MW 124.19
Aromatic Rings 1
Heavy Atoms 9
NP-Likeness 0.52

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