Drug Information

Drug General Information

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Drug ID

D08DSJ

Former ID

DNC004088

Drug Name

ML-3163

Synonyms

ML 3163; CHEMBL111456; 4-[5-(4-Fluorophenyl)-2-(4-methanesulfinyl-benzylsulfanyl)-3H-imidazol-4-yl]pyridine; SCHEMBL4106398; BDBM50114690; IN1229; 4-[5-(4-Fluoro-phenyl)-2-(4-methanesulfinyl-benzylsulfanyl)-1H-imidazol-4-yl]-pyridine; 4-(2-(4-(methylsulfinyl)benzylthio)-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyridine

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Drug Type

Small molecular drug

Indication

Discovery agent [ICD-11: N.A.]

Investigative

[1]

Structure

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2D MOL

3D MOL

Formula

C22H18FN3OS2

Canonical SMILES

CS(=O)C1=CC=C(C=C1)CSC2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F

InChI

1S/C22H18FN3OS2/c1-29(27)19-8-2-15(3-9-19)14-28-22-25-20(16-4-6-18(23)7-5-16)21(26-22)17-10-12-24-13-11-17/h2-13H,14H2,1H3,(H,25,26)

InChIKey

PRYUWQSCZBKGMW-UHFFFAOYSA-N

PubChem Compound ID

9845197

Target and Pathway

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Target(s)

Albendazole monooxygenase (CYP3A4)

Target Info

Inhibitor

[2]

Debrisoquine 4-hydroxylase (CYP2D6)

Target Info

Inhibitor

[2]

MAP kinase p38 (MAPK12)

Target Info

Inhibitor

[1]

Stress-activated protein kinase 2a (p38 alpha)

Target Info

Inhibitor

[1]

Stress-activated protein kinase 2b (p38 beta)

Target Info

Inhibitor

[1]

KEGG Pathway

Steroid hormone biosynthesis

Linoleic acid metabolism

Retinol metabolism

Metabolism of xenobiotics by cytochrome P450

Drug metabolism - cytochrome P450

Drug metabolism - other enzymes

Metabolic pathways

Bile secretion

Chemical carcinogenesis

MAPK signaling pathway

Rap1 signaling pathway

FoxO signaling pathway

Sphingolipid signaling pathway

Adrenergic signaling in cardiomyocytes

VEGF signaling pathway

Osteoclast differentiation

Signaling pathways regulating pluripotency of stem cells

Platelet activation

Toll-like receptor signaling pathway

NOD-like receptor signaling pathway

RIG-I-like receptor signaling pathway

T cell receptor signaling pathway

Fc epsilon RI signaling pathway

TNF signaling pathway

Leukocyte transendothelial migration

Neurotrophin signaling pathway

Retrograde endocannabinoid signaling

Dopaminergic synapse

Inflammatory mediator regulation of TRP channels

GnRH signaling pathway

Progesterone-mediated oocyte maturation

Prolactin signaling pathway

Amyotrophic lateral sclerosis (ALS)

Epithelial cell signaling in Helicobacter pylori infection

Shigellosis

Salmonella infection

Pertussis

Leishmaniasis

Chagas disease (American trypanosomiasis)

Toxoplasmosis

Tuberculosis

Hepatitis C

Influenza A

Epstein-Barr virus infection

Proteoglycans in cancer

Serotonergic synapse

Oocyte meiosis

NetPath Pathway

IL5 Signaling Pathway

FSH Signaling Pathway

TCR Signaling Pathway

Panther Pathway

Alzheimer disease-amyloid secretase pathway

B cell activation

EGF receptor signaling pathway

FGF signaling pathway

Interferon-gamma signaling pathway

Oxidative stress response

TGF-beta signaling pathway

Ras Pathway

p53 pathway feedback loops 2

p38 MAPK pathway

Angiogenesis

Parkinson disease

Toll receptor signaling pathway

VEGF signaling pathway

CCKR signaling map ST

Pathwhiz Pathway

Caffeine Metabolism

Retinol Metabolism

Intracellular Signalling Through Adenosine Receptor A2a and Adenosine

Intracellular Signalling Through Adenosine Receptor A2b and Adenosine

Fc Epsilon Receptor I Signaling in Mast Cells

Pathway Interaction Database

p73 transcription factor network

p38 MAPK signaling pathway

Plasma membrane estrogen receptor signaling

CD40/CD40L signaling

Regulation of p38-alpha and p38-beta

FAS (CD95) signaling pathway

Thromboxane A2 receptor signaling

Glucocorticoid receptor regulatory network

IL2-mediated signaling events

Rapid glucocorticoid signaling

ATF-2 transcription factor network

IL6-mediated signaling events

p38 signaling mediated by MAPKAP kinases

CXCR3-mediated signaling events

Signaling mediated by p38-alpha and p38-beta

Signaling events mediated by VEGFR1 and VEGFR2

VEGFR3 signaling in lymphatic endothelium

Regulation of retinoblastoma protein

Endothelins

BCR signaling pathway

Atypical NF-kappaB pathway

IL4-mediated signaling events

IL12-mediated signaling events

CDC42 signaling events

Angiopoietin receptor Tie2-mediated signaling

Role of Calcineurin-dependent NFAT signaling in lymphocytes

Regulation of Androgen receptor activity

Retinoic acid receptors-mediated signaling

EPO signaling pathway

p53 pathway

S1P2 pathway

Trk receptor signaling mediated by the MAPK pathway

FGF signaling pathway

RAC1 signaling pathway

RhoA signaling pathway

Signaling mediated by p38-gamma and p38-delta

Reactome

Xenobiotics

Aflatoxin activation and detoxification

NOD1/2 Signaling Pathway

p38MAPK events

ERK/MAPK targets

Activation of PPARGC1A (PGC-1alpha) by phosphorylation

Oxidative Stress Induced Senescence

CDO in myogenesis

DSCAM interactions

VEGFA-VEGFR2 Pathway

activated TAK1 mediates p38 MAPK activation

Activation of the AP-1 family of transcription factors

KSRP (KHSRP) binds and destabilizes mRNA

ADP signalling through P2Y purinoceptor 1

Platelet sensitization by LDL

WikiPathways

Metapathway biotransformation

Aflatoxin B1 metabolism

Estrogen metabolism

Benzo(a)pyrene metabolism

Tamoxifen metabolism

Tryptophan metabolism

Oxidation by Cytochrome P450

Nuclear Receptors in Lipid Metabolism and Toxicity

Nuclear Receptors Meta-Pathway

Farnesoid X Receptor Pathway

Vitamin D Receptor Pathway

Felbamate Metabolism

Lidocaine metabolism

Nifedipine Activity

Colchicine Metabolic Pathway

Irinotecan Pathway

Drug Induction of Bile Acid Pathway

Fatty Acid Omega Oxidation

Codeine and Morphine Metabolism

Toll-like receptor signaling pathway

Insulin Signaling

IL-4 Signaling Pathway

MAP kinase activation in TLR cascade

Regulation of mRNA Stability by Proteins that Bind AU-rich Elements

Nanoparticle-mediated activation of receptor signaling

Structural Pathway of Interleukin 1 (IL-1)

Parkinsons Disease Pathway

NGF signalling via TRKA from the plasma membrane

Myogenesis

DSCAM interactions

Physiological and Pathological Hypertrophy of the Heart

Regulation of toll-like receptor signaling pathway

Monoamine Transport

Serotonin HTR1 Group and FOS Pathway

TCR Signaling Pathway

Senescence and Autophagy in Cancer

Interferon type I signaling pathways

EGF/EGFR Signaling Pathway

MAPK Cascade

Oxidative Stress

p38 MAPK Signaling Pathway

MAPK Signaling Pathway

TGF beta Signaling Pathway

Kit receptor signaling pathway

Cardiac Hypertrophic Response

JAK/STAT

Amyotrophic lateral sclerosis (ALS)

Alpha 6 Beta 4 signaling pathway

Cardiac Progenitor Differentiation

BDNF signaling pathway

Integrated Pancreatic Cancer Pathway

Oncostatin M Signaling Pathway

Corticotropin-releasing hormone

AGE/RAGE pathway

B Cell Receptor Signaling Pathway

Prostate Cancer

TSLP Signaling Pathway

TWEAK Signaling Pathway

FSH signaling pathway

Leptin signaling pathway

RANKL/RANK Signaling Pathway

miR-targeted genes in muscle cell - TarBase

miR-targeted genes in lymphocytes - TarBase

miR-targeted genes in leukocytes - TarBase

miR-targeted genes in epithelium - TarBase

IL-1 signaling pathway

Signal amplification

Platelet homeostasis

MicroRNAs in cardiomyocyte hypertrophy

Angiogenesis

Aripiprazole Metabolic Pathway

Signal Transduction of S1P Receptor

Integrin-mediated Cell Adhesion

References

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REF 1

From imidazoles to pyrimidines: new inhibitors of cytokine release. J Med Chem. 2002 Jun 20;45(13):2733-40.

REF 2

Novel substituted pyridinyl imidazoles as potent anticytokine agents with low activity against hepatic cytochrome P450 enzymes. J Med Chem. 2003 Jul 17;46(15):3230-44.

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