MetaADEDB 2.0 @ LMMD
2-chloro-N(6)-(3-iodobenzyl)adenosine-5'-N-methyluronamide
(IPSYPUKKXMNCNQ-PFHKOEEOSA-N)
Structure
SMILES
CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I
Type(s)
Investigational
Molecular Formula:
C18H18ClIN6O4
Molecular Weight:
544.731
Log P:
1.5255
Hydrogen Bond Acceptor:
10
Hydrogen Bond Donor:
4
TPSA:
134.42
CAS Number(s):
163042-96-4
Synonym(s)
1.
2-chloro-N(6)-(3-iodobenzyl)adenosine-5'-N-methyluronamide
2.
2-Cl-IB-MECA
3.
2-chloro-N(6)-(3-iodobenzyl)-9-(5-(methylcarbamoyl)-beta-D-ribofuranosyl)adenine
4.
2-chloro-N6-(3-iodobenzyl)adenosine-5'-N-methylcarboxamide
5.
C-IBzA-MU
6.
CF102 compound
External Link(s)
MeSHC090034
PubChem Compound3035850
BindingDB21221
CHEMBLCHEMBL431733
DrugBankDB12885
IUPHAR/BPS Guide to PHARMACOLOGY457
KEGGdr:D11128
Therapeutic Target DatabaseD0U0KR
ZINC3995845
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Myocardial Infarction20132822CTD
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