| BioID | bio198434 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL2012671 |
|---|
| Molecular Formula | C12H13N5O4 |
|---|
| Molecular Weight | 291.27 |
|---|
| Molecular Weight (Monoisotopic) | 291.0968 |
|---|
| Type | Small molecule |
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| Max Phase | -- |
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| Target ID | Tar81 |
|---|
| Target Name | None |
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| Synonyms | 4'-ethynyl-2'-deoxyguanosine |
|---|
| Smiles | C#C[C@]1(CO)O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C[C@@H]1O |
|---|
| Inchi | InChI=1S/C12H13N5O4/c1-2-12(4-18)6(19)3-7(21-12)17-5-14-8-9(17)15-11(13)16-10(8)20/h1,5-7,18-19H,3-4H2,(H3,13,15,16,20)/t6-,7+,12+/m0/s1 |
|---|
| Inchi Key | MPCMLKLBMSFTTJ-QRPMWFLTSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 16.0 |
|---|
| Bioactivities | 20.0 |
|---|
| Np Likeness Score | 0.75 |
|---|
| Records Key | [46, 4'-ethynyl-2'-deoxyguanosine", '81']" |
|---|
| Records Name | ['2-amino-9-((2R,4S,5R)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-purin-6(9H)-one', '2-Amino-9-(5-ethynyl-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-6-ol'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
