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Compound Detail

CHEMBL4452754

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O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(N2CCC(c3nnc(NC(=O)Cc4ccccn4)s3)CC2)nn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4452754
Phase Preclinical
Structure Type MOL
InChI Key HFYUNFAPRLIYMV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

598.6
MW (Da)
4.37
ALogP
10
HBA
2
HBD
135.1
PSA (Ų)
0.29
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H25F3N8O3S
MW 598.61
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -2.19

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