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Compound Detail

CHEMBL4436826

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O=C(Cc1ccccc1)Nc1ccn(CCCCc2ccc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)c(=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4436826
Phase Preclinical
Structure Type MOL
InChI Key GZWKNJQHHUEMTA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

579.6
MW (Da)
4.92
ALogP
7
HBA
2
HBD
115.2
PSA (Ų)
0.23
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H28F3N5O4
MW 579.58
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -1.37

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