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Compound Detail

CHEMBL542784

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COc1ccc(CCN)cc1OCCc1ccccc1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL542784
Phase Preclinical
Structure Type MOL
InChI Key VTJWMPVWTICVBO-UHFFFAOYSA-N
Parent Compound CHEMBL1191653
Active Moiety CHEMBL1191653
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

271.4
MW (Da)
2.82
ALogP
3
HBA
1
HBD
44.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H22ClNO2
MW 307.82
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.03

Literature References

PubMed DOI Target Context # Activities
10508444 10.1021/jm990135j Sigma non-opioid intracellular receptor 1 2
10508444 10.1021/jm990135j Unchecked 1
10508444 10.1021/jm990135j D(2) dopamine receptor 1
10090790 10.1021/jm980212v Sigma non-opioid intracellular receptor 1 1
10090790 10.1021/jm980212v D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine