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Compound Detail

CHEMBL4526782

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O=C(Cc1ccccc1)Nc1ccn(CCCCc2nnc(NC(=O)Cc3ccccc3)s2)c(=O)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4526782
Phase Preclinical
Structure Type MOL
InChI Key UGKJGXXNOYNSQL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

502.6
MW (Da)
3.48
ALogP
8
HBA
2
HBD
118.9
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 C26H26N6O3S
MW 502.60
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.68

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