Details of the Drug

General Information of Drug (ID: DM16PWF)

Drug Name

N1-methylnicotinamide

Synonyms

Trigonellinamide; 1-methylnicotinamide; N(1)-Methylnicotinamide; N1-Methylnicotinamide; 3-(Aminocarbonyl)-1-methylpyridinium; 1-Methyl nicotinamide; 3-carbamoyl-1-methylpyridinium; 3106-60-3; Pyridinium, 3-carbamoyl-1-methyl-; UNII-UM47085BXC; N(sup 1)-Methylnicotinamide; 3-carbamoyl-1-methylpyridin-1-ium; BRN 3540351; 1-methylpyridine-3-carboxamide; UM47085BXC; CHEBI:16797; 1-methylpyridin-1-ium-3-carboxamide; CHEMBL1209652; Trigonellamide; Pyridinium, 3-(aminocarbonyl)-1-methyl-; 1-methyl-3-carbamoylpyridinium; 8GC; I-methyl n

Indication

Disease Entry	ICD 11	Status	REF
Hyperlipidemia	5C80.Z	Phase 2/3	[1]

Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

137.16

Topological Polar Surface Area (xlogp)

-0.1

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C7H9N2O+
IUPAC Name: 1-methylpyridin-1-ium-3-carboxamide
Canonical SMILES: C[N+]1=CC=CC(=C1)C(=O)N
InChI: InChI=1S/C7H8N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10)/p+1
InChIKey: LDHMAVIPBRSVRG-UHFFFAOYSA-O

Cross-matching ID

PubChem CID: 457
ChEBI ID: CHEBI:16797
CAS Number: 3106-60-3
DrugBank ID: DB11710
TTD ID: D0Q0FW
VARIDT ID: DR01420

Molecular Interaction Atlas of This Drug

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Organic cation transporter 1 (SLC22A1)	DTT79CX	S22A1_HUMAN	Substrate	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT00519714) A Study to Evaluate the Lipid Regulating Effects of 1-Methylnicotinamide (1-MNA). U.S. National Institutes of Health.
2	Cloning and characterization of two human polyspecific organic cation transporters. DNA Cell Biol. 1997 Jul;16(7):871-81.
3	Are organic cation transporters capable of transporting prostaglandins? Naunyn Schmiedebergs Arch Pharmacol. 2005 Aug;372(2):125-30.
4	Cisplatin and oxaliplatin, but not carboplatin and nedaplatin, are substrates for human organic cation transporters (SLC22A1-3 and multidrug and toxin extrusion family). J Pharmacol Exp Ther. 2006 Nov;319(2):879-86.
5	Pharmacologic markers and predictors of responses to imatinib therapy in patients with chronic myeloid leukemia. Leuk Lymphoma. 2008 Apr;49(4):639-42.
6	Organic cation transporters are determinants of oxaliplatin cytotoxicity. Cancer Res. 2006 Sep 1;66(17):8847-57.
7	Human intestinal transporter database: QSAR modeling and virtual profiling of drug uptake, efflux and interactions. Pharm Res. 2013 Apr;30(4):996-1007.
8	Implications of genetic polymorphisms in drug transporters for pharmacotherapy. Cancer Lett. 2006 Mar 8;234(1):4-33.
9	Upregulation of histone acetylation reverses organic anion transporter 2 repression and enhances 5-fluorouracil sensitivity in hepatocellular carcinoma
10	Comparison of type I and type II organic cation transport by organic cation transporters and organic anion-transporting polypeptides. J Pharmacol Exp Ther. 2001 Jul;298(1):110-5.
11	Organic cation transporters and their pharmacokinetic and pharmacodynamic consequences. Drug Metab Pharmacokinet. 2008;23(4):243-53.
12	Influx Transport of Cationic Drug at the Blood-Retinal Barrier: Impact on the Retinal Delivery of Neuroprotectants. Biol Pharm Bull. 2017;40(8):1139-1145.