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Compound Detail

CHEMBL1688529

NIM811
🧪 Phase II
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🧪 Phase II
C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1688529
Name NIM811
Phase Phase II
Structure Type BOTH
InChI Key RPJPZDVUUKWPGT-FOIHOXPVSA-N

Known Names

Nim-811 Nim811
6
Targets
21
Activities
4
Assay Types
0
PK Parameters
15
Publications
2
Known Names
1
Indications

Molecular Properties

1202.6
MW (Da)

Drug Information

Molecule Type Protein
Chirality Single Enantiomer

Flags

Natural Product

Extended Properties

Molecular Formula C62H111N11O12
MW 1202.63

Indications

Hepatitis C, Chronic

Activity Summary

EC50 13 meas. best 7.33
IC50 4 meas. best 6.51
Kd 3 meas. best 8.38
Ki 1 meas. best 8.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peptidyl-prolyl cis-trans isomerase A
CHEMBL1949
 Ki 8.68 8.68 2.1 1
Peptidyl-prolyl cis-trans isomerase F, mitochondrial
CHEMBL3325306
 Kd 8.38 8.38 4.2 1
Peptidyl-prolyl cis-trans isomerase B
CHEMBL2075
 Kd 8.13 8.13 7.4 1
Peptidyl-prolyl cis-trans isomerase A
CHEMBL1949
 Kd 8.12 8.12 7.5 1
Human immunodeficiency virus 1
CHEMBL378
 EC50 7.33 7.33 47.0 1
Hepatitis C virus
CHEMBL379
 EC50 7.08 6.4242 84.0 12
Human immunodeficiency virus 1
CHEMBL378
 IC50 6.51 6.38 310.0 3
PBMC
CHEMBL613107
 IC50 5.62 5.62 2400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Peptidyl-prolyl cis-trans isomerase A Ki = 2.11 nM 8.68 Inhibition of human recombinant cyclophilin-associted cis-trans propyl isomerase... 18212100
Peptidyl-prolyl cis-trans isomerase F, mitochondrial Kd = 4.2 nM 8.38 Binding affinity to human cyclophilin F by surface plasmon resonance method 25310383
Peptidyl-prolyl cis-trans isomerase B Kd = 7.4 nM 8.13 Binding affinity to human cyclophilin B by surface plasmon resonance method 25310383
Peptidyl-prolyl cis-trans isomerase A Kd = 7.5 nM 8.12 Binding affinity to human cyclophilin A by surface plasmon resonance method 25310383
Human immunodeficiency virus 1 EC50 = 47.0 nM 7.33 Antiviral activity against HIV1 3B infected in human MT4 cells coinfected with H... 23849880
Hepatitis C virus EC50 = 84.0 nM 7.08 Antiviral activity against HCV subtype 1b Con1 infected in human HuH7 cells asse... 20176894
Hepatitis C virus EC50 = 97.0 nM 7.01 Antiviral activity against HCV subtype 1b in human Huh7.5 cells expressing subge... 25310383
Hepatitis C virus EC50 = 120.0 nM 6.92 Antiviral activity against wild type HCV subtype 1b Con1 infected in human HuH7 ... 20176894
Hepatitis C virus EC50 = 170.0 nM 6.77 Antiviral activity against HCV subtype 1b Con1 infected in cyclosporine A/NIM-re... 20176894
Hepatitis C virus EC50 = 210.0 nM 6.68 Antiviral activity against HCV subtype 1b in human Huh7.5 cells expressing subge... 25310383
Hepatitis C virus EC50 = 217.0 nM 6.66 Antiviral activity against HCV subtype 1a in human Huh7.5 cells expressing subge... 25310383
Hepatitis C virus EC50 = 230.0 nM 6.64 Antiviral activity against HCV subtype 1b Con1 harboring wild type protease infe... 20176894
Human immunodeficiency virus 1 IC50 = 310.0 nM 6.51 Antiviral activity against HIV-1 3B infected in human MT4 cells assessed as inhi... 18212100
Human immunodeficiency virus 1 IC50 = 470.0 nM 6.33 Antiviral activity against HIV-1 3B infected in human PBMC assessed as inhibitio... 18212100
Human immunodeficiency virus 1 IC50 = 500.0 nM 6.3 Antiviral activity against HIV-1 SF2 infected in human PBMC assessed as inhibiti... 18212100
Hepatitis C virus EC50 = 830.0 nM 6.08 Antiviral activity against cyclosporine A-resistant HCV subtype 1b Con1 infected... 20176894
Hepatitis C virus EC50 = 940.0 nM 6.03 Antiviral activity against HCV subtype 1b Con1 harboring NS5A C575G mutant prote... 20176894
Hepatitis C virus EC50 = 1140.0 nM 5.94 Antiviral activity against HCV subtype 1b Con1 harboring NS5A and NS5B C575G mut... 20176894
Hepatitis C virus EC50 = 1500.0 nM 5.82 Antiviral activity against cyclosporine A/NIM811-resistant HCV subtype 1b Con1 i... 20176894
PBMC IC50 = 2400.0 nM 5.62 Cytotoxicity against PHA-stimulated human PBMC by 5-bromo-2'-deoxyuridine incorp... 25310383

Literature References

PubMed DOI Target Context # Activities
20176894 10.1128/aac.01236-09 Hepatitis C virus 11
18212100 10.1128/aac.01324-07 Human immunodeficiency virus 1 3
25310383 10.1021/jm500862r Hepatitis C virus 3
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
18212100 10.1128/aac.01324-07 Peptidyl-prolyl cis-trans isomerase A 1
18212100 10.1128/aac.01324-07 PBMC 1
18212100 10.1128/aac.01324-07 MT4 1
18212100 10.1128/aac.01324-07 Jurkat 1
23849880 10.1016/j.bmcl.2013.05.101 Human immunodeficiency virus 1 1
24831536 10.1021/jm500223x Hepatitis C virus 1
25310383 10.1021/jm500862r Peptidyl-prolyl cis-trans isomerase A 1
25310383 10.1021/jm500862r Peptidyl-prolyl cis-trans isomerase B 1
25310383 10.1021/jm500862r Peptidyl-prolyl cis-trans isomerase F, mitochondrial 1
25310383 10.1021/jm500862r MT4 1
25310383 10.1021/jm500862r PBMC 1

Data from ChEMBL 36 via Core Engine