Details of the Drug

General Information of Drug (ID: DMG0VN6)

Drug Name
1-Deaza-Adenosine
Synonyms
1-Deazaadenosine; 1-deaza-adenosine; 14432-09-8; CHEMBL115824; 1DA; 1add; 1-Deaza-A; AC1L4ME8; AC1Q4XY1; adenosine-N,1,3-15N3; SCHEMBL18490353; A-d-ribofuranosyl)-3h-imidazo[4,5-b]pyridin-7-amine; MolPort-023-278-902; 3H-Imidazo(4,5-b)pyridin-7-amine, 3-beta-D-ribofuranosyl-; ZINC3814313; PDSP1_001078; BDBM50060165; PDSP2_001062; AKOS024458188; DB04218; NCGC00163308-01; 3- -D-Ribofuranosyl-3H-imidazo[4,5-b]pyridin-7-amine; 3-beta-D-ribofuranosyl-3H-imidazo[4,5-b]pyridin-7-amine; 3H-Imidazo[4,5-B]Pyridine, 7-Amino-3-ss-D-Ribof
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 266.25
Logarithm of the Partition Coefficient (xlogp) -0.7
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C11H14N4O4
IUPAC Name
(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Canonical SMILES
C1=CN=C2C(=C1N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C11H14N4O4/c12-5-1-2-13-10-7(5)14-4-15(10)11-9(18)8(17)6(3-16)19-11/h1-2,4,6,8-9,11,16-18H,3H2,(H2,12,13)/t6-,8-,9-,11-/m1/s1
InChIKey
NVUDDRWKCUAERS-PNHWDRBUSA-N
Cross-matching ID
PubChem CID
159738
ChEBI ID
CHEMBL115824
CAS Number
14432-09-8
DrugBank ID
DB04218
TTD ID
D03PLV
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adenosine deaminase (ADA) TTLP57V ADA_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) 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.