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Compound Detail

CHEMBL3680036

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O=C(Cc1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccccc3)o2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3680036
Phase Preclinical
Structure Type MOL
InChI Key DZTLTBFMHGSANB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

460.5
MW (Da)
3.38
ALogP
8
HBA
2
HBD
136.0
PSA (Ų)
0.33
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24N6O4
MW 460.49
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.02

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