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Compound Detail

CHEMBL5070124

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CC(C)N(C)CC(O)COc1cccc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5070124
Phase Preclinical
Structure Type MOL
InChI Key LVHDXWKCKMZLRV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

273.4
MW (Da)
2.92
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.88
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H23NO2
MW 273.38
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.92

Literature References

PubMed DOI Target Context # Activities
34115934 10.1021/acs.jmedchem.1c00733 Nuclear receptor subfamily 2 group E member 1 1

Data from ChEMBL 36 via Core Engine