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Compound Detail

CHEMBL5095230

ATUZAGINSTAT
🧪 Phase II
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🧪 Phase II
NCCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)ccc(F)c1F

Basic Information

ChEMBL ID CHEMBL5095230
Name ATUZAGINSTAT
Phase Phase II
Structure Type MOL
InChI Key OLIMBXKACVCIMM-HNNXBMFYSA-N

Known Names

Atuzaginstat COR-388 COR388
6
Targets
15
Activities
1
Assay Types
0
PK Parameters
0
Publications
3
Known Names
1
Indications

Molecular Properties

386.4
MW (Da)
2.86
ALogP
4
HBA
2
HBD
81.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Stem -stat

Extended Properties

Molecular Formula C19H25F3N2O3
MW 386.41
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -0.60

Indications

Alzheimer Disease

Activity Summary

IC50 15 meas. best 6.93

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cathepsin K
CHEMBL268
IC50 6.93 6.8767 117.0 3
Cathepsin B
CHEMBL4072
IC50 6.42 6.42 380.0 3
Pro-cathepsin H
CHEMBL2225
IC50 6.25 6.25 560.0 3
Procathepsin L
CHEMBL3837
IC50 5.33 5.33 4680.0 3
Cathepsin F
CHEMBL2517
IC50 5.21 5.21 6100.0 2
Cathepsin S
CHEMBL2954
IC50 4.53 4.53 29470.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cathepsin K IC50 = 117.0 nM 6.93 Inhibition of Lysine Gingipain: The capacities of compounds of the present inven... -
Cathepsin K IC50 = 117.0 nM 6.93 Inhibition Assay: The capacities of compounds of the present invention to inhibi... -
Cathepsin K IC50 = 170.0 nM 6.77 Inhibition of Lysine Gingipain: The capacities of compounds of the present inven... -
Cathepsin B IC50 = 380.0 nM 6.42 Inhibition of Lysine Gingipain: The capacities of compounds of the present inven... -
Cathepsin B IC50 = 380.0 nM 6.42 Inhibition of Lysine Gingipain: The capacities of compounds of the present inven... -
Cathepsin B IC50 = 380.0 nM 6.42 Inhibition Assay: The capacities of compounds of the present invention to inhibi... -
Pro-cathepsin H IC50 = 560.0 nM 6.25 Inhibition of Lysine Gingipain: The capacities of compounds of the present inven... -
Pro-cathepsin H IC50 = 560.0 nM 6.25 Inhibition of Lysine Gingipain: The capacities of compounds of the present inven... -
Pro-cathepsin H IC50 = 560.0 nM 6.25 Inhibition Assay: The capacities of compounds of the present invention to inhibi... -
Procathepsin L IC50 = 4680.0 nM 5.33 Inhibition of Lysine Gingipain: The capacities of compounds of the present inven... -
Procathepsin L IC50 = 4680.0 nM 5.33 Inhibition of Lysine Gingipain: The capacities of compounds of the present inven... -
Procathepsin L IC50 = 4680.0 nM 5.33 Inhibition Assay: The capacities of compounds of the present invention to inhibi... -
Cathepsin F IC50 = 6100.0 nM 5.21 Inhibition of Lysine Gingipain: The capacities of compounds of the present inven... -
Cathepsin F IC50 = 6100.0 nM 5.21 Inhibition Assay: The capacities of compounds of the present invention to inhibi... -
Cathepsin S IC50 = 29470.0 nM 4.53 Inhibition of Lysine Gingipain: The capacities of compounds of the present inven... -

Data from ChEMBL 36 via Core Engine