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Compound Detail

CHEMBL5875026

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CCO[C@@H](C(=O)Nc1nnc(N[C@@H]2CCN(c3cccnn3)C2)s1)c1ccc(F)cc1

Basic Information

ChEMBL ID CHEMBL5875026
Phase Preclinical
Structure Type MOL
InChI Key HDRZADSWJHVRRT-NVXWUHKLSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

443.5
MW (Da)
2.87
ALogP
9
HBA
2
HBD
105.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22FN7O2S
MW 443.51
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -2.12

Activity Summary

IC50 3 meas. best 7.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutaminase kidney isoform, mitochondrial
CHEMBL2146302
IC50 7.57 7.0367 27.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine