General Information of the Compound
| Compound ID |
CP0276773
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| Compound Name |
(2R,3R,4S,5R)-2-(6-(2-methyl-benzylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol
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| Synonyms |
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(2-methylphenyl)methylamino]purin-9-yl]oxolane-3,4-diol
23707-33-7
7K4GKQ4XSE
AC1L23SZ
Adenosine analog, 16
BDBM50080390
CHEMBL331382
DSSTox_CID_25168
DSSTox_GSID_45168
DSSTox_RID_80718
DTXSID1045168
GTPL426
METRIFUDIL
Metrifudil
Metrifudil [INN]
Metrifudilum
Metrifudilum [INN-Latin]
N-[(2-Methylphenyl)methyl]adenosine
NCGC00015640-02
OOEMZCZWZXHBKW-SCFUHWHPSA-N
SCHEMBL472516
TH-322
Th 322
Tox21_110187
UNII-7K4GKQ4XSE
Y 341
Y-341
ZINC4216929
n6 -(2-methylbenzyl)adenosine
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| Structure |
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| Formula |
C18H21N5O4
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| Molecular Weight |
371.397
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| Canonical SMILES |
Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C18H21N5O4/c1-10-4-2-3-5-11(10)6-19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)12(7-24)27-18/h2-5,8-9,12,14-15,18,24-26H,6-7H2,1H3,(H,19,20,21)/t12-,14-,15-,18-/m1/s1
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| InChIKey |
OOEMZCZWZXHBKW-SCFUHWHPSA-N
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| CAS |
23707-33-7
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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: PT01827, Adenosine receptor A3
Protein ID: PT01279, Adenosine receptor A3
Clinical Information about the Compound