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Compound Detail

CHEMBL16135

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C=CCN1CCCC1CNC(=O)c1c(OC)c(Br)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL16135
Phase Preclinical
Structure Type MOL
InChI Key NMAAIHMFWWRBSH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

413.3
MW (Da)
2.86
ALogP
5
HBA
1
HBD
60.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H25BrN2O4
MW 413.31
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.48

Literature References

PubMed DOI Target Context # Activities
1969484 10.1021/jm00166a012 D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine