Details of the Drug

General Information of Drug (ID: DMNIJT0)

Drug Name

Adenosine monophosphate

Synonyms

ASMP; Adenovite; Adenyl; Adenylate; Cardiomone; Lycedan; Monophosphadenine; Muskeladenylsaeure; Myoston; PAdo; Phosaden; Phosphaden; Phosphentaside; AMP dianion; Adenine polynucleotides; Adenosine phosphate; Adenosini phosphas; Adenylic acid; Ergadenylic acid; Fosfato de adenosina; Muscle adenylic acid; POLY A; Polyadenylic acids; Vitamin B8; A-5mp; AMP (VAN); AMP (nucleotide); Adenosine Monophosphate (Amp); Adenosine-monophosphate; Adenosine-phosphate; Adenosini phosphas [INN-Latin]; Adenyl (TN); Adenylic acid (VAN); Ado5'P; Fosfato de adenosina [INN-Spanish]; Muskeladenosin-phosphorsaeure; Phosphate d'adenosine; Adenosine 5'-monophosphate; Adenosine 5'-monophosphoric acid; Adenosine 5'-phosphate; Adenosine 5'-phosphoric acid; Adenosine phosphate (USAN/INN); Adenosine phosphate [USAN:BAN:INN]; Adenosine phosphate [USAN:INN:BAN]; Adenosine-5'P; Adenosine-5-monophosphate dianion; Adenosine-5-monophosphoric acid; Adenosine-5-phosphate; Formycin 5'-monophosphate hydrate; Formycin 5'-phosphate; Formycin 5'-phosphate hydrate; Formycin A 5'-monophosphate hydrate; My-B-Den; Phosphate d'adenosine [INN-French]; ADENOSINE-5'-PHOSPHATE; Adenosine 5'-(dihydrogen phosphate); Adenosine, mono(dihydrogen phosphate) (ester); Adenosine-5'-monophosphate; Adenosine-5'-monophosphoric acid; Adenosine-5-monophosphate(2-); GAMMA-ARSONO-BETA, GAMMA-METHYLENEADENOSINE-5'-DIPHOSPHATE; [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate; (S)-1-C-(7-Amino-1H-pyrazolo(4,3-d)pyrimidin-3-yl)-1,4-anhydro-D-ribitol, 5-(dihydrogen phosphate); 1H-Pyrazolo(4,3-d)pyrimidine, 7-amino-3-beta-D-ribofuranosyl-, 5'-(dihydrogen phosphate)-, hydrate; 5'-Adenylic acid, homopolymer; 5'-Deoxy-5'-thioadenosine 5'-monophosphate; 5'-O-phosphonatoadenosine; 5'-O-phosphonoadenosine; 5'-Thio-5'-adenylic acid; 5'-adenosine monophosphate; 5'-adenylic acid; 7-Amino-3-beta-D-ribofuranosyl-1H-pyrazolo(4,3-d)pyrimidine 5'-(dihydrogen phosphate) hydrate; 7A8E6D15-9136-44C1-88C9-E1A224638E56; 7gpb; 8-Aminoadenosine 5'-monophosphate; 8gpb

Indication

Disease Entry	ICD 11	Status	REF
Malnutrition	5B50-5B71	Approved	[1]
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Therapeutic Class

Dietary supplement

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 2

Molecular Weight (mw)

347.22

Logarithm of the Partition Coefficient (xlogp)

-3.5

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C10H14N5O7P
IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Canonical SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
InChI: InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKey: UDMBCSSLTHHNCD-KQYNXXCUSA-N

Cross-matching ID

PubChem CID: 6083
ChEBI ID: CHEBI:16027
CAS Number: 61-19-8
DrugBank ID: DB00131
TTD ID: D06ACW
VARIDT ID: DR00100
INTEDE ID: DR0047

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenylate cyclase type 1 (ADCY1)	TTV1ZSQ	ADCY1_HUMAN	Binder	[2]

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Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Peroxisomal membrane protein PMP34 (SLC25A17)	DTYR5U7	PM34_HUMAN	Substrate	[3]

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Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Adenine phosphoribosyltransferase (APRT)_{Main DME}	DE2MV1R	APT_HUMAN	Substrate	[4]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Peroxisome proliferator-activated receptor gamma coactivator 1-alpha (PPARGC1A)	OTHCDQ22	PRGC1_HUMAN	Gene/Protein Processing	[5]
Polyunsaturated fatty acid 5-lipoxygenase (ALOX5)	OT7FOIK2	LOX5_HUMAN	Protein Interaction/Cellular Processes	[6]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2455).
2	Ecto- and cytosolic 5'-nucleotidases in normal and AMP deaminase-deficient human skeletal muscle. Biol Chem. 2006 Jan;387(1):53-8.
3	The human gene SLC25A17 encodes a peroxisomal transporter of coenzyme A, FAD and NAD+. Biochem J. 2012 Apr 1;443(1):241-7.
4	Configuration of a scintillation proximity assay for the activity assessment of recombinant human adenine phosphoribosyltransferase. Assay Drug Dev Technol. 2006 Dec;4(6):661-9.
5	A cardiac-specific robotized cellular assay identified families of human ligands as inducers of PGC-1 expression and mitochondrial biogenesis. PLoS One. 2012;7(10):e46753. doi: 10.1371/journal.pone.0046753. Epub 2012 Oct 3.
6	Characterization of the arachidonate and ATP binding sites of human 5-lipoxygenase using photoaffinity labeling and enzyme immobilization. Biochemistry. 1995 Oct 17;34(41):13603-11.