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Compound Detail

CHEMBL3659477

VAROGLUTAMSTAT
🧪 Phase II
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🧪 Phase II
CCCOc1ccc([C@H]2CNC(=O)N2c2ccc3[nH]cnc3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3659477
Name VAROGLUTAMSTAT
Phase Phase II
Structure Type MOL
InChI Key XHIKZWOEFZENIX-GOSISDBHSA-N

Known Names

PQ-912 Pq912 Varoglutamstat
2
Targets
8
Activities
2
Assay Types
0
PK Parameters
5
Publications
3
Known Names
1
Indications

Molecular Properties

336.4
MW (Da)
3.62
ALogP
3
HBA
2
HBD
70.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Stem -stat

Extended Properties

Molecular Formula C19H20N4O2
MW 336.39
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.97

Indications

Alzheimer Disease

Activity Summary

IC50 4 meas. best 8.0
Ki 4 meas. best 7.61

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutaminyl-peptide cyclotransferase-like protein
CHEMBL3638349
 IC50 8.0 8.0 10.0 1
Glutaminyl-peptide cyclotransferase
CHEMBL4508
 Ki 7.61 7.52 24.6 4
Glutaminyl-peptide cyclotransferase
CHEMBL4508
 IC50 7.44 6.8933 36.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutaminyl-peptide cyclotransferase-like protein IC50 = 10.0 nM 8.0 Inhibition of gQC (unknown origin) expressed in Escherichia coli Transetta (DE3)... 38817193
Glutaminyl-peptide cyclotransferase Ki = 24.6 nM 7.61 Inhibition of human recombinant glutaminyl cyclase using glutaminyl-7-amido-4-me... 38104495
Glutaminyl-peptide cyclotransferase Ki = 24.6 nM 7.61 Binding affinity to sQC (unknown origin) assessed as inhibition constant 38817193
Glutaminyl-peptide cyclotransferase IC50 = 36.0 nM 7.44 Inhibition of sQC (unknown origin) expressed in Escherichia coli Transetta (DE3)... 38817193
Glutaminyl-peptide cyclotransferase Ki = 37.4 nM 7.43 Spectrophotometic Assay: Spectrophotometic Assay: This novel assay was used to d... -
Glutaminyl-peptide cyclotransferase Ki = 37.4 nM 7.43 Fluorometric Assay: All measurements were performed with a BioAssay Reader HTS-7... -
Glutaminyl-peptide cyclotransferase IC50 = 238.0 nM 6.62 Spectrophotometic Assay: Spectrophotometic Assay: This novel assay was used to d... -
Glutaminyl-peptide cyclotransferase IC50 = 238.0 nM 6.62 Fluorometric Assay: All measurements were performed with a BioAssay Reader HTS-7... -

Literature References

PubMed DOI Target Context # Activities
38817193 10.1021/acs.jmedchem.4c00049 Glutaminyl-peptide cyclotransferase 3
38817193 10.1021/acs.jmedchem.4c00049 Glutaminyl-peptide cyclotransferase-like protein 2
38817193 10.1021/acs.jmedchem.4c00049 Pyroglutamyl-peptidase 1 2
34000808 10.1021/acs.jmedchem.1c00325 Glutaminyl-peptide cyclotransferase 1
38104495 10.1016/j.bmc.2023.117542 Glutaminyl-peptide cyclotransferase 1

Data from ChEMBL 36 via Core Engine