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Compound Detail

CHEMBL4574354

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O=C(Cc1ccccc1)Nc1ccn(CCCCn2ccc(NC(=O)Cc3ccccc3)nc2=O)c(=O)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4574354
Phase Preclinical
Structure Type MOL
InChI Key DMWGTTKEKVJMNK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

512.6
MW (Da)
2.64
ALogP
8
HBA
2
HBD
128.0
PSA (Ų)
0.30
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H28N6O4
MW 512.57
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.88

Literature References

PubMed DOI Target Context # Activities
30522056 10.1016/j.ejmech.2018.11.066 Glutaminase kidney isoform, mitochondrial 1

Data from ChEMBL 36 via Core Engine