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Compound Detail

CHEMBL6055277

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CCO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(c3cccnn3)C2)s1)c1cccc(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6055277
Phase Preclinical
Structure Type MOL
InChI Key OVDMSTKAPGEEIJ-QAPCUYQASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

455.5
MW (Da)
2.74
ALogP
10
HBA
2
HBD
114.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25N7O3S
MW 455.54
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.83

Activity Summary

IC50 1 meas. best 7.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutaminase kidney isoform, mitochondrial
CHEMBL2146302
 IC50 7.68 7.68 21.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutaminase kidney isoform, mitochondrial IC50 = 21.0 nM 7.68 GLS Enzyme Potency Assay: A Glutamate Oxidase/AmplexRed coupled assay was used t... -

Data from ChEMBL 36 via Core Engine