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Compound Detail

CHEMBL1907913

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CCN1CCC[C@@H]1CNC(=O)c1c(OC)c(Br)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1907913
Phase Preclinical
Structure Type MOL
InChI Key OQOZGNFSDYSQCV-LLVKDONJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

401.3
MW (Da)
2.69
ALogP
5
HBA
1
HBD
60.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H25BrN2O4
MW 401.30
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.55

Literature References

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

Data from ChEMBL 36 via Core Engine