Details of the Drug

General Information of Drug (ID: DMZLHKJ)

Drug Name

Adenine

Synonyms

ADE; ANE; Adenin; Adeninimine; Adenine [JAN]; Pedatisectine B; AD2; Vitamin B 4; Vitamin B4; ALBB-005925; Adenine (8CI); Adenine-ring; B 4, Vitamin; Leuco-4; Leucon (TN); Purine, 6; USAF CB-18; Vitamin-B4; Adenine (JAN/USP); Adenine-8-14C; 1,6-Dihydro-6-Imnopurine; 1,6-Dihydro-6-iminopurine; 1H-Purin-6-amine; 1H-Purin-6-amine (9CI); 1H-Purine, 6-amino; 2'-DEOXY-ADENOSINE-3'-5'-DIPHOSPHATE; 3,6-Dihydro-6-iminopurine; 4, Vitamin B; 6-Amino-1H-purine; 6-Amino-3H-purine; 6-Amino-7H-purine; 6-Amino-9H-purine; 6-Aminopurine; 7H-Purin-6-amine; 9H-Purin-6-amine

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): 0

Molecular Weight (mw)

135.13

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: C5H5N5
IUPAC Name: 7H-purin-6-amine
Canonical SMILES: C1=NC2=NC=NC(=C2N1)N
InChI: InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
InChIKey: GFFGJBXGBJISGV-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 190
ChEBI ID: CHEBI:16708
CAS Number: 73-24-5
DrugBank ID: DB00173
TTD ID: D08IBS
VARIDT ID: DR00126

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Human Deoxyribonucleic acid (hDNA)	TTUTN1I	NOUNIPROTAC	Binder	[2]

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Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Adenine nucleotide translocator 3 (SLC25A6)	DTLMGFJ	ADT3_HUMAN	Substrate	[3]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
5'-AMP-activated protein kinase subunit beta-1 (PRKAB1)	OT1OG4QZ	AAKB1_HUMAN	Gene/Protein Processing	[4]
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2)	OTIN6G20	CPT2_HUMAN	Gene/Protein Processing	[4]
Cell division control protein 6 homolog (CDC6)	OTX93FE7	CDC6_HUMAN	Gene/Protein Processing	[4]
Chromatin assembly factor 1 subunit A (CHAF1A)	OTXSSY4H	CAF1A_HUMAN	Gene/Protein Processing	[4]
Chromatin assembly factor 1 subunit B (CHAF1B)	OTOMK4KH	CAF1B_HUMAN	Gene/Protein Processing	[4]
Cyclin-dependent kinase inhibitor 1 (CDKN1A)	OTQWHCZE	CDN1A_HUMAN	Gene/Protein Processing	[4]
Cytochrome c oxidase assembly factor 7 (COA7)	OTRQJYL6	COA7_HUMAN	Gene/Protein Processing	[4]
DNA damage-inducible transcript 4 protein (DDIT4)	OTHY8SY4	DDIT4_HUMAN	Gene/Protein Processing	[4]
DNA mismatch repair protein Msh6 (MSH6)	OT46FP09	MSH6_HUMAN	Gene/Protein Processing	[4]
DNA repair protein complementing XP-C cells	OTB09PXO	XPC_HUMAN	Gene/Protein Processing	[4]

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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: 4788).
2	Escherichia coli DNA adenine methyltransferase: intrasite processivity and substrate-induced dimerization and activation. Biochemistry. 2009 Aug 11;48(31):7399-410.
3	Adenine nucleotide (ADP/ATP) translocase 3 participates in the tumor necrosis factor induced apoptosis of MCF-7 cells. Mol Biol Cell. 2007 Nov;18(11):4681-9.
4	Utilization of CDKN1A/p21 gene for class discrimination of DNA damage-induced clastogenicity. Toxicology. 2014 Jan 6;315:8-16. doi: 10.1016/j.tox.2013.10.009. Epub 2013 Nov 6.