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Compound Detail

CHEMBL5590167

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

Basic Information

ChEMBL ID CHEMBL5590167
Phase Preclinical
Structure Type MOL
InChI Key RMJNVWMWZYFSCG-UHFFFAOYSA-N
Parent Compound CHEMBL6068865
Active Moiety CHEMBL6068865
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

280.4
MW (Da)
2.83
ALogP
4
HBA
1
HBD
47.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H30Cl2N2O2
MW 353.33
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.03

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