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Compound Detail

CHEMBL155883

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CN1CCc2cccc3c2[C@H]1Cc1c(Br)cc(Br)c(O)c1-3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL155883
Phase Preclinical
Structure Type MOL
InChI Key RAIOTDNIRNEUDH-CQSZACIVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

409.1
MW (Da)
4.67
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15Br2NO
MW 409.12
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.94

Literature References

PubMed DOI Target Context # Activities
2405158 10.1021/jm00164a022 Rattus norvegicus 2
2405158 10.1021/jm00164a022 D(1A) dopamine receptor 1
2405158 10.1021/jm00164a022 D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine