Compound Detail

CHEMBL13134

PALINAVIR

🧪 Phase II

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🧪 Phase II

CC(C)[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@@H](OCc2ccncc2)C[C@H]1C(=O)NC(C)(C)C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL13134
Name	PALINAVIR
Phase	Phase II
Structure Type	MOL
InChI Key	RXBWRFDZXRAEJT-SZNOJMITSA-N

Known Names

BILA 2011 BS BILA-2011-BS Palinavir

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

708.9

MW (Da)

4.44

ALogP

HBA

HBD

145.8

PSA (Å²)

0.15

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Single Enantiomer

USAN Stem	-vir
USAN Year	1995

Extended Properties

Molecular Formula	C41H52N6O5
MW	708.90
Aromatic Rings	4
Heavy Atoms	52
NP-Likeness	-0.35

Activity Summary

EC50 6 meas. best 8.3

Ki 6 meas. best 10.51

IC50 4 meas. best 8.4

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Human immunodeficiency virus type 1 protease CHEMBL243	Ki	10.51	10.51	0.0	2
Human immunodeficiency virus 1 CHEMBL378	Ki	10.51	10.51	0.0	1
Human rhinovirus A protease CHEMBL2857	Ki	9.89	9.88	0.1	2
Human immunodeficiency virus 2 CHEMBL380	Ki	9.89	9.89	0.1	1
Human immunodeficiency virus type 1 protease CHEMBL243	IC50	8.4	8.2667	4.0	3
Human immunodeficiency virus 1 CHEMBL378	EC50	8.3	8.05	5.0	3
Human rhinovirus A protease CHEMBL2857	IC50	8.0	8.0	10.0	1
Human immunodeficiency virus 2 CHEMBL380	EC50	7.6	7.6	25.0	1
C8166 CHEMBL614533	EC50	7.6	7.6	25.0	1
Human immunodeficiency virus CHEMBL613758	EC50	7.52	7.52	30.0	1

Pharmacokinetic Data

Parameter	Value	Units	Species
Cmax	1600.0	nM	-
F	37.0	%	Rattus norvegicus
T1/2	0.7	hr	-

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Human immunodeficiency virus type 1 protease	Ki	=	0.031	nM	10.51	binding affinity against HIV-1 111B strain in protease	9216835
Human immunodeficiency virus type 1 protease	Ki	=	0.031	nM	10.51	Binding affinity against HIV-1 protease.	10669559
Human immunodeficiency virus 1	Ki	=	0.031	nM	10.51	The binding affinity is evaluated for viral strains HIV-1 IIIB	10737742
Human rhinovirus A protease	Ki	=	0.13	nM	9.89	Binding affinity against HIV-2 ROD strain in protease	9216835
Human immunodeficiency virus 2	Ki	=	0.13	nM	9.89	The binding affinity is evaluated for viral strains HIV-2 ROD.	10737742
Human rhinovirus A protease	Ki	=	0.134	nM	9.87	Binding affinity against HIV-1 protease.	10669559
Human immunodeficiency virus type 1 protease	IC50	=	4.0	nM	8.4	Inhibitory concentration against recombinant HIV-1 111B protease expressed from ...	9216835
Human immunodeficiency virus type 1 protease	IC50	=	4.0	nM	8.4	The inhibitory concentration was evaluated for viral strains HIV-1 IIIB using a ...	10737742
Human immunodeficiency virus 1	EC50	=	5.0	nM	8.3	Inhibitory concentration against HIV-1 strain 111B in acutely infected C8166 T c...	9216835
Human immunodeficiency virus 1	EC50	=	5.0	nM	8.3	Effective concentration to inhibit replication of viral strain HIV-1 IIIB in acu...	10737742
Human rhinovirus A protease	IC50	=	10.0	nM	8.0	Inhibitory concentration against recombinant HIV-2 ROD protease expressed from E...	9216835
Human immunodeficiency virus type 1 protease	IC50	=	10.0	nM	8.0	The inhibitory concentration was evaluated for viral strains HIV-2 ROD using a H...	10737742
C8166	EC50	=	25.0	nM	7.6	Inhibitory concentration against HIV-2 rod strain in acutely infected C8166 T ce...	9216835
Human immunodeficiency virus 2	EC50	=	25.0	nM	7.6	Effective concentration to inhibit replication of viral strain HIV-2 ROD in acut...	10737742
Human immunodeficiency virus 1	EC50	=	28.0	nM	7.55	Antiviral activity against HIV-1 protease	10669559
Human immunodeficiency virus	EC50	=	30.0	nM	7.52	Antiviral activity against HIV-1 protease	10669559

Literature References

PubMed	DOI	Target Context	# Activities
10669559	10.1021/jm990412m	ADMET	3
9216835	10.1021/jm9606608	Human immunodeficiency virus type 1 protease	2
9216835	10.1021/jm9606608	Human rhinovirus A protease	2
10669559	10.1021/jm990412m	Human immunodeficiency virus	2
10737742	10.1021/jm990336n	Human immunodeficiency virus type 1 protease	2
10737742	10.1021/jm990336n	Human immunodeficiency virus 1	2
10737742	10.1021/jm990336n	Human immunodeficiency virus 2	2
9216835	10.1021/jm9606608	Human immunodeficiency virus 1	1
9216835	10.1021/jm9606608	C8166	1
10669559	10.1021/jm990412m	Human immunodeficiency virus type 1 protease	1
10669559	10.1021/jm990412m	Human rhinovirus A protease	1
10669559	10.1021/jm990412m	Human immunodeficiency virus 1	1

Data from ChEMBL 36 via Core Engine