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Compound Detail

CHEMBL30256

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O=C(NCCN1CCN(c2ccccc2)CC1)c1cc(Br)c2ccccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL30256
Phase Preclinical
Structure Type MOL
InChI Key MPSBVAIRNBRYCN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

438.4
MW (Da)
4.15
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24BrN3O
MW 438.37
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.39

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00231-4 D(3) dopamine receptor 1
- 10.1016/0960-894X(96)00231-4 D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine