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Compound Detail

CHEMBL5947870

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

Basic Information

ChEMBL ID CHEMBL5947870
Phase Preclinical
Structure Type MOL
InChI Key GJNDIDCPYOVPBI-ZIAGYGMSSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

430.5
MW (Da)
1.88
ALogP
10
HBA
2
HBD
118.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19FN8O2S
MW 430.47
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -2.11

Activity Summary

IC50 2 meas. best 7.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutaminase kidney isoform, mitochondrial
CHEMBL2146302
IC50 7.03 7.03 92.6 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine