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Compound Detail

CHEMBL4216023

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c1ccc(-c2cc(COc3cccc4onc(Nc5cccnc5)c34)ccn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4216023
Phase Preclinical
Structure Type MOL
InChI Key HZEWJEIYYJGUJI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

394.4
MW (Da)
5.61
ALogP
6
HBA
1
HBD
73.1
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H18N4O2
MW 394.43
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -1.10

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