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Compound Detail

CHEMBL4545450

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O=C(Cc1ccccc1)Nc1nnc(CCCCc2cnc3[nH]c(Cc4ccccc4)nc3c2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4545450
Phase Preclinical
Structure Type MOL
InChI Key JSAOQVBPDYTXHV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

482.6
MW (Da)
5.15
ALogP
6
HBA
2
HBD
96.5
PSA (Ų)
0.27
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H26N6OS
MW 482.61
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -1.53

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