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Compound Detail

CHEMBL60248

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COc1cc(CC(C)N)ccc1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL60248
Phase Preclinical
Structure Type MOL
InChI Key VDXSMUDYWQXHME-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

244.1
MW (Da)
2.35
ALogP
2
HBA
1
HBD
35.2
PSA (Ų)
0.89
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 C10H14BrNO
MW 244.13
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness 0.04

Literature References

PubMed DOI Target Context # Activities
3950904 10.1021/jm00152a005 Serotonin 1 (5-HT1) receptor 1
3950904 10.1021/jm00152a005 Serotonin 2 (5-HT2) receptor 1

Data from ChEMBL 36 via Core Engine