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]
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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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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
CAS Number: 14432-09-8
DrugBank ID: DB04218
TTD ID: D03PLV

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.