MetaADEDB 2.0 @ LMMD
2-(4-(2-carboxyethyl)phenethylamino)-5'-N-ethylcarboxamidoadenosine
(PAOANWZGLPPROA-RQXXJAGISA-N)
Structure
SMILES
CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(NCCc1ccc(cc1)CCC(=O)O)nc2N
Molecular Formula:
C23H29N7O6
Molecular Weight:
499.520
Log P:
0.8807
Hydrogen Bond Acceptor:
13
Hydrogen Bond Donor:
6
TPSA:
197.74
CAS Number(s):
120225-54-9; 124182-57-6; 124431-80-7
Synonym(s)
1.
2-(4-(2-carboxyethyl)phenethylamino)-5'-N-ethylcarboxamidoadenosine
2.
2-p-(2-carboxyethyl)phenethylamino-5'-N-ethylcarboxamidoadenosine hydrochloride
3.
Benzenepropanoic acid, 4-(2-((6-amino-9-(N-ethyl-beta-D-ribofuranuronamidosyl)-9H-purin-2-yl)amino)ethyl)-
4.
CGS 21680
5.
CGS 21680A
6.
CGS-21680C
7.
CGS21680
External Link(s)
MeSHC061282
PubChem Compound3086599
BindingDB35804
50080391
ChEBI73283
CHEMBLCHEMBL331372
IUPHAR/BPS Guide to PHARMACOLOGY375
424
Therapeutic Target DatabaseD0N5QU
D0J2UW
ZINC3918045
Adverse Drug Event(s)
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