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Compound Detail

CHEMBL4540444

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O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(CC2CC(c3nnc(NC(=O)Cc4ccccn4)s3)C2)nn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4540444
Phase Preclinical
Structure Type MOL
InChI Key NGGJWHRHXQHWAX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

583.6
MW (Da)
4.72
ALogP
9
HBA
2
HBD
131.9
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 C27H24F3N7O3S
MW 583.60
Aromatic Rings 4
Heavy Atoms 41
NP-Likeness -1.53

Literature References

PubMed DOI Target Context # Activities
29969024 10.1021/acs.jmedchem.8b00327 Glutaminase kidney isoform, mitochondrial 1
29969024 10.1021/acs.jmedchem.8b00327 Unchecked 1

Data from ChEMBL 36 via Core Engine