UCSF

ZINC30320646

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2009 44 No

Popular Name: Nadide Nadide

Find On: PubMed — Wikipedia — Google

CAS Number: 53-84-9

Other Names:

1-Naphthylacetamide; 1-Naphthylamine, N-acetyl-; 2-(1-Naphthyl)acetamide; Adenine-nicotinamide dinucleotide; alpha-Naphthaleneacetamide; alpha-Naphthaleneacetic acid amide; alpha-Naphthylacetamide; beta-diphosphopyridine nucleotide; beta-nad; beta-NAD+; b

1-[(2R,3R,4S,5R)-5-{[({[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]-3-carbamoyl-1$l^{5}-pyridin-1-ylium

3-Carbamoyl-1-beta-D-ribofuranosylpyridinium hydroxide 5'-ester with adenosine 5'-pyrophosphate inner salt; 3-Carbamoyl-1-beta-delta-ribofuranosylpyridinium hydroxide 5'-ester with adenosine 5'-pyrophosphate inner salt; 3-Carbamoyl-1-D-ribofuranosylpyridi

3-Carbamoyl-1-beta-D-ribofuranosylpyridinium hydroxide 5'-ester with adenosine 5'-pyrophosphate inner salt;3-Carbamoyl-1-beta-delta-ribofuranosylpyridinium hydroxide 5'-ester with adenosine 5'-pyrophosphate inner salt;3-Carbamoyl-1-D-ribofuranosylpyridini

3-Carbamoyl-1-D-ribofuranosylpyridinium hydroxide 5'-ester with adenosine 5'-pyrophosphate; 3-Carbamoyl-1-beta-D-ribofuranosylpyridinium hydroxide 5'-ester with adenosine 5'-pyrophosphate inner salt; 3-Carbamoyl-1-beta-delta-ribofuranosylpyridinium hydrox

3-Carbamoyl-1-D-ribofuranosylpyridinium hydroxide 5'-ester with adenosine 5'-pyrophosphate;3-Carbamoyl-1-beta-D-ribofuranosylpyridinium hydroxide 5'-ester with adenosine 5'-pyrophosphate inner salt;3-Carbamoyl-1-beta-delta-ribofuranosylpyridinium hydroxid

CHEBI:7422; CHEBI:13394; CHEBI:21901; CHEBI:29867

CO-I

CO-I; DPN; NAD

INN

JAN

NAD

NAD anion; NAD(+)

NAD(+)

NAD(1-)

NAD+

Nadide (BAN

USAN)

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -5.53 -7.58 -132.12 8 21 -1 325 662.422 11 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links 25KD_SARPE; 2ENR_CLOTY; 3BHD_COMTE; 3BHS1_HUMAN; 3BHS1_MACMU; 3BHS1_MESAU; 3BHS1_MOUSE; 3BHS1_RAT; 3BHS2_HUMAN; 3BHS2_MESAU; 3BHS2_MOUSE; 3BHS2_RAT; 3BHS3_MESAU; 3BHS3_MOUSE; 3BHS4_MOUSE; 3BHS4_RAT; 3BHS5_MOUSE; 3BHS5_RAT; 3BHS6_MOUSE; 3BHS7_HUMAN; 3BHS7_ ChEBI
UniProt Database Links 2ENR_CLOTY; 3BHD_COMTE; 3BHS1_HUMAN; 3BHS1_MACMU; 3BHS1_MESAU; 3BHS1_MOUSE; 3BHS1_RAT; 3BHS2_HUMAN; 3BHS2_MESAU; 3BHS2_MOUSE; 3BHS2_RAT; 3BHS3_MOUSE; 3BHS4_RAT; 3BHS6_MOUSE; 3BHS7_HUMAN; 3BHS7_MOUSE; 3BHS7_RAT; 3BHS_BOVIN; 3BHS_CANFA; 3BHS_FOWPN; 3BHS_HOR ChEBI
Therapy alcohol and narcotic antagonist SMDC MicroSource
Reactome Database Links REACT_10031; REACT_10053; REACT_10056; REACT_10065; REACT_10067; REACT_10090; REACT_1010; REACT_10115; REACT_1068; REACT_1077; REACT_1080; REACT_11135; REACT_11169; REACT_11182; REACT_11216; REACT_11234; REACT_1146; REACT_115982; REACT_116077; REACT_1166 ChEBI

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Abacavir metabolism
Abnormal metabolism in phenylketonuria
alpha-linolenic acid (ALA) metabolism
Alpha-oxidation of phytanate
Amino acid synthesis and interconversion (transamination)
Androgen biosynthesis
Beta oxidation of butanoyl-CoA to acetyl-CoA
Beta oxidation of decanoyl-CoA to octanoyl-CoA-CoA
Beta oxidation of hexanoyl-CoA to butanoyl-CoA
Beta oxidation of lauroyl-CoA to decanoyl-CoA-CoA
Beta oxidation of myristoyl-CoA to lauroyl-CoA
Beta oxidation of octanoyl-CoA to hexanoyl-CoA
Beta oxidation of palmitoyl-CoA to myristoyl-CoA
Beta-oxidation of pristanoyl-CoA
Beta-oxidation of very long chain fatty acids
Branched-chain amino acid catabolism
Carnitine synthesis
Cell redox homeostasis
Cholesterol biosynthesis
Chorismate via Shikimate Pathway
Citric acid cycle (TCA cycle)
Cobalamin (Cbl, vitamin B12) transport and metabolism
De novo synthesis of GMP
degradation of AXIN
Degradation of cysteine and homocysteine
Degradation of GABA
Downregulation of SMAD2/3:SMAD4 transcriptional activity
Ethanol oxidation
Formation of the active cofactor, UDP-glucuronate
Galactose catabolism
Glucocorticoid biosynthesis
Gluconeogenesis
Glycolysis
Glycosphingolipid metabolism
Histidine catabolism
Hypusine synthesis from eIF5A-lysine
Linoleic acid (LA) metabolism
Lipid metabolism
Lysine catabolism
Metabolism of serotonin
Methylation
Mineralocorticoid biosynthesis
mitochondrial fatty acid beta-oxidation of unsaturated fatty acids
Mycothiol-dependent detoxification
Nicotinate metabolism
Phenylalanine and tyrosine catabolism
Proline catabolism
Purine ribonucleoside monophosphate biosynthesis
Pyruvate metabolism
Regulation of HSF1-mediated heat shock response
Respiratory electron transport
Retinoid cycle disease events
Serine biosynthesis
SIRT1 negatively regulates rRNA Expression
Sphingolipid de novo biosynthesis
Sphingolipid metabolism
Sulfur amino acid metabolism
Synthesis of 15-eicosatetraenoic acid derivatives
Synthesis of bile acids and bile salts via 24-hydroxycholesterol
Synthesis of bile acids and bile salts via 27-hydroxycholesterol
Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol
Synthesis of IP2, IP, and Ins in the cytosol
Synthesis of Ketone Bodies
Synthesis of Lipoxins (LX)
Synthesis of PA
Synthesis of Prostaglandins (PG) and Thromboxanes (TX)
The activation of arylsulfatases
The canonical retinoid cycle in rods (twilight vision)
The tricarboxylic acid cycle
Tolerance by Mtb to nitric oxide produced by macrophages
Triglyceride Biosynthesis
Tryptophan catabolism
Urate synthesis
Utilization of Ketone Bodies
Vitamin C (ascorbate) metabolism

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.