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Compound Detail

CHEMBL5085627

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COc1ccccc1-c1nccc2c1CN(C1CCCCC1)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5085627
Phase Preclinical
Structure Type MOL
InChI Key YSCPHXKHGUWVPQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
4.05
ALogP
3
HBA
0
HBD
42.4
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22N2O2
MW 322.41
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.29

Literature References

PubMed DOI Target Context # Activities
35188773 10.1021/acs.jmedchem.1c02078 Ceramide glucosyltransferase 1
35188773 10.1021/acs.jmedchem.1c02078 ADMET 1

Data from ChEMBL 36 via Core Engine