Details of the Drug

General Information of Drug (ID: DM1EZ3N)

Drug Name

Namn

Synonyms

NaMN; nicotinate mononucleotide; 321-02-8; nicotinic acid mononucleotide; Nicotinic acid mono nucleotide; AC1NRCHP; NCN; DB02382; 3-carboxy-1-[5-O-(hydroxyphosphinato)-beta-D-ribofuranosyl]pyridinium; [(2R,3S,4R,5R)-5-(3-carboxypyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate; [(2R,3S,4R,5R)-5-(3-carboxypyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate; ((2R,3S,4R,5R)-5-(3-carboxypyridinium-1-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl hydrogen phosphate

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

335.2

Logarithm of the Partition Coefficient (xlogp)

-2.8

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C11H14NO9P
IUPAC Name: [(2R,3S,4R,5R)-5-(3-carboxypyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
Canonical SMILES: C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)[O-])O)O)C(=O)O
InChI: InChI=1S/C11H14NO9P/c13-8-7(5-20-22(17,18)19)21-10(9(8)14)12-3-1-2-6(4-12)11(15)16/h1-4,7-10,13-14H,5H2,(H2-,15,16,17,18,19)/t7-,8-,9-,10-/m1/s1
InChIKey: JOUIQRNQJGXQDC-ZYUZMQFOSA-N

Cross-matching ID

PubChem CID: 5288991
CAS Number: 321-02-8
DrugBank ID: DB02382
TTD ID: D0OP3Y
INTEDE ID: DR2116

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Mycobacterium Nicotinate-nucleotide pyrophosphorylase (MycB nadC)	TTH29K0	NADC_MYCTU	Inhibitor	[1]

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Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Nicotinate-nucleotide adenylyltransferase 3 (NMNAT3)	DERBKPU	NMNA3_HUMAN	Substrate	[2]
Nicotinate-nucleotide adenylyltransferase 2 (NMNAT2)	DE2HB58	NMNA2_HUMAN	Substrate	[3]
Nicotinate-nucleotide adenylyltransferase 1 (NMNAT1)	DE4D159	NMNA1_HUMAN	Substrate	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
2	The NMN/NaMN adenylyltransferase (NMNAT) protein family. Front Biosci (Landmark Ed). 2009 Jan 1;14:410-31.
3	Initial-rate kinetics of human NMN-adenylyltransferases: substrate and metal ion specificity, inhibition by products and multisubstrate analogues, and isozyme contributions to NAD+ biosynthesis. Biochemistry. 2007 Apr 24;46(16):4912-22.