General Information of the Compound
| Compound ID |
CP0425419
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| Compound Name |
2-(2''-indolylethyloxy)adenosine
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| Synonyms |
2-(2''-indolylethyloxy)adenosine
2-(2'-Indolylethyloxy)Adenosine
BDBM50208812
CHEMBL374461
SCHEMBL4234414
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| Structure |
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| Formula |
C20H22N6O5
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| Molecular Weight |
426.433
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| Canonical SMILES |
Nc1nc(OCCc2cc3ccccc3[nH]2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C20H22N6O5/c21-17-14-18(26(9-22-14)19-16(29)15(28)13(8-27)31-19)25-20(24-17)30-6-5-11-7-10-3-1-2-4-12(10)23-11/h1-4,7,9,13,15-16,19,23,27-29H,5-6,8H2,(H2,21,24,25)/t13-,15-,16-,19-/m1/s1
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| InChIKey |
VWETWISDPZSJHC-NVQRDWNXSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01279, Adenosine receptor A3
Clinical Information about the Compound