Compound Detail

CHEMBL223824

MOZENAVIR

🧪 Phase II

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🧪 Phase II

Nc1cccc(CN2C(=O)N(Cc3cccc(N)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL223824
Name	MOZENAVIR
Phase	Phase II
Structure Type	MOL
InChI Key	KYRSNWPSSXSNEP-ZRTHHSRSSA-N

Known Names

DMP-450 Mozenavir

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

536.7

MW (Da)

4.23

ALogP

HBA

HBD

116.0

PSA (Å²)

0.25

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Single Enantiomer

Flags

Natural Product

USAN Stem

-vir

Extended Properties

Molecular Formula	C33H36N4O3
MW	536.68
Aromatic Rings	4
Heavy Atoms	40
NP-Likeness	-0.12

Activity Summary

Ki 10 meas. best 9.55

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Human immunodeficiency virus type 1 protease CHEMBL243	Ki	9.55	9.535	0.3	8
Protease CHEMBL2366517	Ki	9.52	9.52	0.3	1
Unchecked CHEMBL612545	Ki	9.39	9.39	0.4	1

Pharmacokinetic Data

Parameter	Value	Units	Species
CL	3.333	mL.min-1.kg-1	Canis lupus familiaris
Cmax	2250.0	nM	Rattus norvegicus
Cmax	11179.85	nM	Canis lupus familiaris
Cmax	2250.0	nM	Rattus norvegicus
F	79.2	%	Canis lupus familiaris
T1/2	3.6	hr	Canis lupus familiaris
T1/2	2.5	hr	Canis lupus familiaris

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Human immunodeficiency virus type 1 protease	Ki	=	0.28	nM	9.55	Inhibition of HIV protease, measured by assaying the cleavage of a fluorescent p...	9622543
Human immunodeficiency virus type 1 protease	Ki	=	0.28	nM	9.55	Binding affinity for HIV-1 protease enzyme was measured by using fluorescent pep...	9554878
Human immunodeficiency virus type 1 protease	Ki	=	0.28	nM	9.55	Inhibition constant of HIV protease inhibitors	9888839
Human immunodeficiency virus type 1 protease	Ki	=	0.28	nM	9.55	Inhibition of HIV-1 protease	9925730
Human immunodeficiency virus type 1 protease	Ki	=	0.28	nM	9.55	HIV protease inhibition.	9871548
Human immunodeficiency virus type 1 protease	Ki	=	0.28	nM	9.55	Inhibitory activity against HIV protease	9632373
Protease	Ki	=	0.3	nM	9.52	Inhibition of Human immunodeficiency virus 1 protease	-
Human immunodeficiency virus type 1 protease	Ki	=	0.31	nM	9.51	Affinity against HIV protease	9406598
Human immunodeficiency virus type 1 protease	Ki	=	0.34	nM	9.47	Binding affinity to inhibit the purified wild-type HIV-1 Protease	9003516
Unchecked	Ki	=	0.41	nM	9.39	Inhibition of HIV1 protease	15615516

Literature References

PubMed	DOI	Target Context	# Activities
9003516	10.1021/jm960586t	Human immunodeficiency virus	6
9406598	10.1021/jm970288b	Canis familiaris	5
9632373	10.1021/jm980103g	Human immunodeficiency virus type 1 protease	5
9406598	10.1021/jm970288b	Human immunodeficiency virus type 1 protease	2
9003516	10.1021/jm960586t	Human immunodeficiency virus type 1 protease	2
9888839	10.1021/jm9803626	Human immunodeficiency virus type 1 protease	1
-	10.1007/s00044-012-0350-1	Protease	1
9632373	10.1021/jm980103g	MT2	1
9003516	10.1021/jm960586t	Unchecked	1
9871548	10.1016/s0960-894x(98)00119-x	Human immunodeficiency virus 1	1
9871548	10.1016/s0960-894x(98)00119-x	Human immunodeficiency virus type 1 protease	1
9925730	10.1021/jm980369n	Human immunodeficiency virus type 1 protease	1
9888839	10.1021/jm9803626	Rattus norvegicus	1
9888839	10.1021/jm9803626	MT2	1
9622543	10.1021/jm9704199	Human immunodeficiency virus type 1 protease	1
9406598	10.1021/jm970288b	ADMET	1
9406598	10.1021/jm970288b	No relevant target	1
9554878	10.1021/jm970524i	Human immunodeficiency virus 1	1
9554878	10.1021/jm970524i	Human immunodeficiency virus type 1 protease	1
9622543	10.1021/jm9704199	Rattus norvegicus	1

Data from ChEMBL 36 via Core Engine