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Compound Detail

CHEMBL4212831

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Cn1nc(Nc2cccnc2)c2c(OCc3ccccc3)cccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4212831
Phase Preclinical
Structure Type MOL
InChI Key KWKPBIRBGXPWEX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
4.29
ALogP
5
HBA
1
HBD
52.0
PSA (Ų)
0.59
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 C20H18N4O
MW 330.39
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.24

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