Details of the Drug

General Information of Drug (ID: DM0ACL9)

Drug Name
Coformycin
Synonyms
coformycin; 11033-22-0; UNII-E49510ZL0H; NSC 277817; (R)-3,4,7,8-Tetrahydro-3-beta-D-ribofuranosylimidazo(4,5-d)(1,3)diazepin-8-ol; CHEBI:16213; E49510ZL0H; (8R)-3-beta-D-ribofuranosyl-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol; Imidazo(4,5-d)(1,3)diazepin-8-ol, 3,4,7,8-tetrahydro-3-beta-D-ribofuranosyl-, (R)-; CHEMBL284483; NSC277817; SCHEMBL442534; YOOVTUPUBVHMPG-LODYRLCVSA-N; AC1L1956; BDBM50367032; LS-77849; C01677; Imidazo[4,5-d][1,3]diazepin-8-ol, 3,4,7,8-tetrahydro-3-.beta.-D-ribofuranosyl-, (8R)
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): 1 Molecular Weight (mw) 284.27
Logarithm of the Partition Coefficient (xlogp) -3.1
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 5
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C11H16N4O5
IUPAC Name
(2R,3R,4S,5R)-2-[(8R)-8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Canonical SMILES
C1[C@H](C2=C(NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C11H16N4O5/c16-2-6-8(18)9(19)11(20-6)15-4-14-7-5(17)1-12-3-13-10(7)15/h3-6,8-9,11,16-19H,1-2H2,(H,12,13)/t5-,6-,8-,9-,11-/m1/s1
InChIKey
YOOVTUPUBVHMPG-LODYRLCVSA-N
Cross-matching ID
PubChem CID
25447
ChEBI ID
CHEBI:16213
CAS Number
11033-22-0
TTD ID
D0T0OW

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adenosine monophosphate deaminase (AMPD) TTKZ09F AMPD1_HUMAN ; AMPD2_HUMAN ; AMPD3_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Mechanisms of cell death induced by 2-chloroadenosine in leukemic B-cells. Biochem Pharmacol. 2008 Apr 1;75(7):1451-60.