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Compound Detail

CHEMBL5082608

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O=C1c2ccnc(-c3ccccc3)c2CN1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5082608
Phase Preclinical
Structure Type MOL
InChI Key ZWNPTLUMTGOKDO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

286.3
MW (Da)
3.91
ALogP
2
HBA
0
HBD
33.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14N2O
MW 286.33
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.57

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