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Compound Detail

CHEMBL5592656

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COc1cc(C(C)=O)c(OC)cc1CCN.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5592656
Phase Preclinical
Structure Type MOL
InChI Key VYHIXITWDQXJRH-UHFFFAOYSA-N
Parent Compound CHEMBL6068827
Active Moiety CHEMBL6068827
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

223.3
MW (Da)
1.41
ALogP
4
HBA
1
HBD
61.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H18ClNO3
MW 259.73
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.25

Literature References

PubMed DOI Target Context # Activities
38593423 10.1021/acs.jmedchem.3c01961 5-hydroxytryptamine receptor 2A 1
38593423 10.1021/acs.jmedchem.3c01961 No relevant target 1

Data from ChEMBL 36 via Core Engine