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]
Therapeutic Class
Dietary supplement
Affected Organisms
Humans and other mammals
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) 0
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
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
CHEMBL226345
CAS Number
73-24-5
UNII
JAC85A2161
DrugBank ID
DB00173
TTD ID
D08IBS
VARIDT ID
DR00126
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]

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

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]
Molecular Interaction Atlas (MIA) 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.