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Compound Detail

CHEMBL59643

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COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCCCCC3)C2=O)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL59643
Phase Preclinical
Structure Type MOL
InChI Key SVUBMTPNCZKBBG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

413.6
MW (Da)
3.31
ALogP
5
HBA
0
HBD
53.1
PSA (Ų)
0.69
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 C24H35N3O3
MW 413.56
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness -1.04

Literature References

PubMed DOI Target Context # Activities
6131130 10.1021/jm00356a014 Dopamine receptor 2
6131130 10.1021/jm00356a014 Rattus norvegicus 1
6131130 10.1021/jm00356a014 Adrenergic receptor alpha-1 1

Data from ChEMBL 36 via Core Engine