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Compound Detail

CHEMBL1202203

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Br.c1ccc([C@H]2C[C@@H]2CN2CCN(c3cccnc3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1202203
Phase Preclinical
Structure Type MOL
InChI Key WMGPSHGFMRHVFF-POCMBTLOSA-N
Parent Compound CHEMBL126317
Active Moiety CHEMBL126317
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

293.4
MW (Da)
3.01
ALogP
3
HBA
0
HBD
19.4
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24BrN3
MW 374.33
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.01

Literature References

PubMed DOI Target Context # Activities
11052797 10.1021/jm990562x D(2) dopamine receptor 1
11052797 10.1021/jm990562x D(4) dopamine receptor 1
11052797 10.1021/jm990562x Adrenergic receptor alpha-1 1

Data from ChEMBL 36 via Core Engine