Details of the Drug

General Information of Drug (ID: DMWB43U)

Drug Name
6-Chloropurine Riboside, 5'-Monophosphate
Synonyms
6-Cl-Purine Ribotide; CHEMBL1683023; 6-Chloropurine riboside 5'-phosphate; 6-Chloropurine riboside 5'-monophosphate; 6-Chloropurine ribotide; AC1L4ML7; AC1Q3SV8; 6-Chloroinosine monophosphate; SCHEMBL622623; 6-chloro-9-(5-o-phosphono-; A-d-ribofuranosyl)-9h-purine; ALOBOMYIOYNCBS-KQYNXXCUSA-N; ZINC13526959; BDBM50222697; A8843; 6-Chloropurine 9-beta-D-ribofuranosyl 5'-monophosphate; 6-Chloro-9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purine; [(2R,3S,4R,5R)-5-(6-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen pho
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) 367.66
Logarithm of the Partition Coefficient (xlogp) -2
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 5
Hydrogen Bond Acceptor Count (hbondacc) 9
Chemical Identifiers
Formula
C10H13ClN4O7P+
IUPAC Name
[(2R,3S,4R,5R)-5-(6-chloro-7H-purin-9-ium-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Canonical SMILES
C1=[N+](C2=C(N1)C(=NC=N2)Cl)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O
InChI
InChI=1S/C10H12ClN4O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,18,19,20)/p+1/t4-,6-,7-,10-/m1/s1
InChIKey
ALOBOMYIOYNCBS-KQYNXXCUSA-O
Cross-matching ID
PubChem CID
17753915
DrugBank ID
DB03948
TTD ID
D0VD5N

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Amidophosphoribosyltransferase (PPAT) TTZFTY4 PUR1_HUMAN Inhibitor [1]
Inosine-5'-monophosphate dehydrogenase 2 (IMPDH2) TTTB4UP IMDH2_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.