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Compound Detail

CHEMBL5885733

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CCO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(c3nccnn3)C2)s1)c1ccc(F)cc1

Basic Information

ChEMBL ID CHEMBL5885733
Phase Preclinical
Structure Type MOL
InChI Key HIJNQGBERQOCKM-CABCVRRESA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

444.5
MW (Da)
2.27
ALogP
10
HBA
2
HBD
118.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21FN8O2S
MW 444.50
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -2.00

Activity Summary

IC50 2 meas. best 6.81

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutaminase kidney isoform, mitochondrial
CHEMBL2146302
IC50 6.81 6.81 155.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine