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
Logarithm of the Partition Coefficient (xlogp) -0.1
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
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
CHEMBL16797
CAS Number
3106-60-3
UNII
UM47085BXC
DrugBank ID
DB11710
TTD ID
D0Q0FW
VARIDT ID
DR01420
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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]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Protein DEK (DEK) OTYCJ5H6 DEK_HUMAN Biotransformations [3]
Solute carrier family 22 member 2 (SLC22A2) OTGFK1AL S22A2_HUMAN Regulation of Drug Effects [2]
Molecular Interaction Atlas (MIA) 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 Overexpression of the human DEK oncogene reprograms cellular metabolism and promotes glycolysis. PLoS One. 2017 May 30;12(5):e0177952. doi: 10.1371/journal.pone.0177952. eCollection 2017.