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)

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
UNII: UM47085BXC
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]

------------------------------------------------------------------------------------

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)

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	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.