Compound Detail

CHEMBL63440

ALOXISTATIN

🧪 Phase II

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🧪 Phase II

CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL63440
Name	ALOXISTATIN
Phase	Phase II
Structure Type	MOL
InChI Key	SRVFFFJZQVENJC-IHRRRGAJSA-N

Known Names

Aloxistatin Aloxistatina Aloxistatine Loxistatin NSC-694281

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

342.4

MW (Da)

1.01

ALogP

HBA

HBD

97.0

PSA (Å²)

0.46

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Single Enantiomer

Flags

Natural Product

USAN Stem

-stat-

Extended Properties

Molecular Formula	C17H30N2O5
MW	342.44
Aromatic Rings	0
Heavy Atoms	24
NP-Likeness	-0.02

Activity Summary

IC50 9 meas. best 7.47

EC50 1 meas. best 6.57

Ki 1 meas. best 4.28

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Procathepsin L CHEMBL3837	IC50	7.47	6.545	34.0	2
SARS-CoV-2 CHEMBL4303835	EC50	6.57	6.57	270.0	1
Cathepsin G CHEMBL4071	IC50	5.96	5.96	1100.0	1
Unchecked CHEMBL612545	IC50	5.96	5.96	1100.0	1
Calpain-2 catalytic subunit CHEMBL4143	IC50	5.75	5.75	1774.2	1
Calpain-1 catalytic subunit CHEMBL3891	IC50	5.4	5.0033	4000.0	3
Cathepsin B CHEMBL4072	IC50	4.84	4.84	14390.0	1
Papain CHEMBL4779	Ki	4.28	4.28	52000.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Procathepsin L	IC50	=	34.01	nM	7.47	Inhibition of Cathepsin L (unknown origin) using Z-Leu-Arg-AMC fluorometric dipe...	38232463
SARS-CoV-2	EC50	=	270.0	nM	6.57	Antiviral activity against SARS-CoV-2 infected in African green monkey Vero E6 c...	37981443
Cathepsin G	IC50	=	1100.0	nM	5.96	Blockade of cathepsin G processing in human U937 cells by densitometry	17535802
Unchecked	IC50	=	1100.0	nM	5.96	Inhibition of Cathepsin B-like cysteine protease (unknown origin)	38295689
Calpain-2 catalytic subunit	IC50	=	1774.2	nM	5.75	PUBCHEM_BIOASSAY: Dose Response Confirmation for Calpain Inhibitors. (Class of a...	-
Procathepsin L	IC50	=	2410.0	nM	5.62	Inhibition of cathepsin L (unknown origin) using Z-FR-AMC as substrate preincuba...	27318120
Calpain-1 catalytic subunit	IC50	=	4000.0	nM	5.4	The ability of compound to inhibit calpain in a preparation of lysed platelets w...	1597856
Calpain-1 catalytic subunit	IC50	=	4000.0	nM	5.4	The calpain inhibitory activity(I 50) was measured as ability to enter the plate...	1597856
Cathepsin B	IC50	=	14390.0	nM	4.84	Inhibition of cathepsin B (unknown origin) using RR-AMC as substrate preincubate...	27318120
Papain	Ki	=	52000.0	nM	4.28	Kinetic constant Apparent binding constant (Ki`) for the inhibition of papain co...	8765519
Calpain-1 catalytic subunit	IC50	=	62260.0	nM	4.21	Inhibition of human erythrocytes mu-calpain using Pep1 as substrate incubated fo...	27318120

Literature References

PubMed	DOI	Target Context	# Activities
18024584	10.1073/pnas.0709695104	H4	11
17178799	10.1128/aac.01012-06	Plasmodium falciparum	8
19651911	10.1128/aac.00088-09	Plasmodium falciparum	7
-	10.6019/CHEMBL4651402	SARS-CoV-2	4
8765519	10.1021/jm950445b	Papain	3
1597856	10.1021/jm00089a015	Calpain-1 catalytic subunit	3
27318120	10.1016/j.ejmech.2016.06.008	Calpain-1 catalytic subunit	3
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
-	10.6019/CHEMBL4651402	Vero C1008	2
-	10.6019/CHEMBL4495565	SARS-CoV-2	2
-	10.1101/2020.04.21.054387	SARS-CoV-2	2
23320547	10.1021/jm3016987	RPMI-8226	2
17535802	10.1074/jbc.m702615200	Neutrophil elastase	2
17535802	10.1074/jbc.m702615200	Cathepsin G	2
-	10.21203/rs.3.rs-23951/v1	SARS-CoV-2	1
23062825	10.1016/j.bmc.2012.09.040	Cholinesterase	1
-	10.6019/CHEMBL4495564	Replicase polyprotein 1ab	1
23062825	10.1016/j.bmc.2012.09.040	Acetylcholinesterase	1
17535802	10.1074/jbc.m702615200	Myeloblastin	1
38630165	10.1021/acs.jmedchem.3c02351	Procathepsin L	1

Data from ChEMBL 36 via Core Engine