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Compound Detail

CHEMBL4208447

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c1ccc(COc2cccc3ccnc(Nc4cccnc4)c23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4208447
Phase Preclinical
Structure Type MOL
InChI Key HOMFOSHLQMTLSR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
4.95
ALogP
4
HBA
1
HBD
47.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17N3O
MW 327.39
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.97

Literature References

PubMed DOI Target Context # Activities
30074791 10.1021/acs.jmedchem.8b00727 Phosphatidylcholine:ceramide cholinephosphotransferase 2 1
30074791 10.1021/acs.jmedchem.8b00727 Phosphatidylcholine:ceramide cholinephosphotransferase 1 1

Data from ChEMBL 36 via Core Engine