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Compound Detail

CHEMBL2178397

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Nc1nnc(CCCCc2nnc(NC(=O)CCc3ccccc3)s2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2178397
Phase Preclinical
Structure Type MOL
InChI Key HKPOSUQQVVQZDZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

388.5
MW (Da)
3.11
ALogP
8
HBA
2
HBD
106.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20N6OS2
MW 388.52
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.66

Literature References

PubMed DOI Target Context # Activities
23151085 10.1021/jm301191p Glutaminase kidney isoform, mitochondrial 1

Data from ChEMBL 36 via Core Engine