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Compound Detail

CHEMBL3127326

OMBITASVIR
💊 Approved Drug
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💊 Approved Drug
COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc([C@@H]2CC[C@@H](c3ccc(NC(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)cc3)N2c2ccc(C(C)(C)C)cc2)cc1)C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3127326
Name OMBITASVIR
Phase Approved
Structure Type MOL
InChI Key PIDFDZJZLOTZTM-KHVQSSSXSA-N
Therapeutic ✓ Yes

Known Names

ABT-267 Ombitasvir Ombitasvir component of technivie Ombitasvir component of viekirax
3
Targets
29
Activities
1
Assay Types
30
PK Parameters
20
Publications
4
Known Names
3
Indications
1
Mechanisms

Molecular Properties

894.1
MW (Da)
7.69
ALogP
9
HBA
4
HBD
178.7
PSA (Ų)
0.13
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2014
Availability Discontinued
Chirality Single Enantiomer

Routes of Administration

Oral

Flags

Natural Product
USAN Stem -vir
USAN Year 2013

Extended Properties

Molecular Formula C50H67N7O8
MW 894.13
Aromatic Rings 3
Heavy Atoms 65
NP-Likeness -0.59

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Nonstructural protein 5A inhibitor INHIBITOR Nonstructural protein 5A ✓ ✓

Indications

Hepatitis C Hepatitis C, Chronic Hepatitis B, Chronic

Activity Summary

EC50 29 meas. best 10.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Genome polyprotein
CHEMBL5536
 EC50 10.92 10.3325 0.0 4
Hepatitis C virus
CHEMBL379
 EC50 10.91 10.305 0.0 6
Nonstructural protein 5A
CHEMBL3307224
 EC50 10.85 9.9833 0.0 6

Pharmacokinetic Data

Parameter Value Units Species
AUC 8000.0 ng.hr.mL-1 Canis lupus familiaris
AUC 2400.0 ng.hr.mL-1 Macaca mulatta
AUC 290.0 ng.hr.mL-1 Rattus norvegicus
AUC 26440.0 ng.hr.mL-1 Mus musculus
AUC 11030.0 ng.hr.mL-1 Mus musculus
AUC 6480.0 ng.hr.mL-1 Mus musculus
AUC 187.5 ng.hr.mL-1 Canis lupus familiaris
AUClast 6480.0 ng/hr Mus musculus
CL 10.83 mL.min-1.kg-1 Rattus norvegicus
CL 6.333 mL.min-1.kg-1 Macaca mulatta
CL 3.0 mL.min-1.kg-1 Canis lupus familiaris
CL 1.833 mL.min-1.kg-1 Mus musculus
Cmax 6.375 nM Homo sapiens
Cmax 715.78 nM Canis lupus familiaris
Cmax 324.34 nM Macaca mulatta
Cmax 11.18 nM Rattus norvegicus
Cmax 636.0 nM Mus musculus
Cmax 652.37 nM Mus musculus
Cmax 17.54 nM Canis lupus familiaris
Cmax 652.03 nM Mus musculus
F 57.0 % Canis lupus familiaris
F 35.0 % Macaca mulatta
F 6.2 % Rattus norvegicus
F 41.7 % Mus musculus
F 48.0 % Homo sapiens
T1/2 25.0 hr Homo sapiens
T1/2 15.9 hr Rattus norvegicus
T1/2 9.9 hr Rattus norvegicus
T1/2 7.9 hr Canis lupus familiaris
T1/2 7.3 hr Canis lupus familiaris

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Genome polyprotein EC50 = 0.012 nM 10.92 Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV geno... 29653491
Hepatitis C virus EC50 = 0.0124 nM 10.91 Antiviral activity against HCV2a infected in human HuH7 cells assessed as inhibi... 24400777
Hepatitis C virus EC50 = 0.014 nM 10.85 Antiviral activity against HCV1a H77 infected in human HuH7 cells assessed as in... 24400777
Nonstructural protein 5A EC50 = 0.014 nM 10.85 Inhibition of NS5A in HuH7 cell infected HCV genotype 1a H77 assessed as decreas... 29653491
Genome polyprotein EC50 = 0.019 nM 10.72 Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV geno... 29653491
Hepatitis C virus EC50 = 0.0193 nM 10.71 Antiviral activity against HCV3a infected in human HuH7 cells assessed as inhibi... 24400777
Nonstructural protein 5A EC50 = 0.03 nM 10.52 Inhibition of NS5A in HCV genotype 1a infected in human HuH7 replicon cells asse... 29454920
Nonstructural protein 5A EC50 = 0.055 nM 10.26 Inhibition of NS5A in HCV genotype 6a 29454920
Hepatitis C virus EC50 = 0.056 nM 10.25 Antiviral activity against HCV1b Con1 infected in human HuH7 cells assessed as i... 24400777
Genome polyprotein EC50 = 0.056 nM 10.25 Inhibition of NS5A in HuH7 cell infected HCV genotype 1b Con1 assessed as decrea... 29653491
Nonstructural protein 5A EC50 = 0.086 nM 10.07 Inhibition of NS5A in HCV genotype 3a infected in human HuH7 replicon cells expr... 29454920
Hepatitis C virus EC50 = 0.186 nM 9.73 Antiviral activity against HCV1a H77 infected in human HuH7 cells assessed as in... 24400777
Nonstructural protein 5A EC50 = 0.186 nM 9.73 Inhibition of NS5A in HuH7 cell infected HCV genotype 1a H77 assessed as decreas... 29653491
Genome polyprotein EC50 = 0.366 nM 9.44 Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV geno... 29653491
Hepatitis C virus EC50 = 0.415 nM 9.38 Antiviral activity against HCV6a infected in human HuH7 cells assessed as inhibi... 24400777
Nonstructural protein 5A EC50 = 3.392 nM 8.47 Inhibition of NS5A in HCV genotype 6a infected in human HuH7 replicon cells expr... 29454920

Literature References

PubMed DOI Target Context # Activities
24400777 10.1021/jm401398x Hepatitis C virus 45
29454920 10.1016/j.ejmech.2018.02.025 ADMET 18
29653491 10.1021/acs.jmedchem.8b00082 Mus musculus 11
29653491 10.1021/acs.jmedchem.8b00082 Nonstructural protein 5A 9
24400777 10.1021/jm401398x Canis familiaris 8
24400777 10.1021/jm401398x Rhesus monkey 8
24400777 10.1021/jm401398x Rattus norvegicus 8
29653491 10.1021/acs.jmedchem.8b00082 Genome polyprotein 8
29454920 10.1016/j.ejmech.2018.02.025 Nonstructural protein 5A 7
32293179 10.1021/acs.jmedchem.0c00082 ADMET 7
24400777 10.1021/jm401398x Homo sapiens 5
29454920 10.1016/j.ejmech.2018.02.025 Mus musculus 4
29454920 10.1016/j.ejmech.2018.02.025 Canis familiaris 4
30685524 10.1016/j.ejmech.2019.01.025 ADMET 4
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
24400777 10.1021/jm401398x No relevant target 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
29454920 10.1016/j.ejmech.2018.02.025 Cytochrome P450 3A4 2
24400777 10.1021/jm401398x Liver microsome 2
29454920 10.1016/j.ejmech.2018.02.025 Voltage-gated inwardly rectifying potassium channel KCNH2 2

Data from ChEMBL 36 via Core Engine