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Compound Detail

CHEMBL3144748

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Cc1[nH]n(C)c(=O)c1C(=N)c1cccc(Br)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3144748
Phase Preclinical
Structure Type MOL
InChI Key RGFNDQQWOWFIEC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

294.1
MW (Da)
2.20
ALogP
3
HBA
2
HBD
61.6
PSA (Ų)
0.82
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 C12H12BrN3O
MW 294.15
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.71

Literature References

PubMed DOI Target Context # Activities
2888897 10.1021/jm00393a021 Mus musculus 2
2888897 10.1021/jm00393a021 D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine