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Compound Detail

CHEMBL4451183

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O=C(Cc1ccccc1)Nc1ccn(CCCCn2cc(C(=O)NCc3cccc(OC(F)(F)F)c3)nn2)c(=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4451183
Phase Preclinical
Structure Type MOL
InChI Key OEFACFUDHKSGKA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

568.6
MW (Da)
3.93
ALogP
8
HBA
2
HBD
120.1
PSA (Ų)
0.25
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 C28H27F3N6O4
MW 568.56
Aromatic Rings 4
Heavy Atoms 41
NP-Likeness -1.93

Literature References

PubMed DOI Target Context # Activities
29969024 10.1021/acs.jmedchem.8b00327 Glutaminase kidney isoform, mitochondrial 1
30522056 10.1016/j.ejmech.2018.11.066 Glutaminase kidney isoform, mitochondrial 1

Data from ChEMBL 36 via Core Engine