Bioactive Compound Details
| BioID | bio198298 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL222945 |
| Molecular Formula | C16H20N6O5 |
| Molecular Weight | 376.37 |
| Molecular Weight (Monoisotopic) | 376.1495 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-(3'-Pyrrolylethyloxy)Adenosine |
| Smiles | Nc1nc(OCCc2cc[nH]c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |
| Inchi | InChI=1S/C16H20N6O5/c17-13-10-14(21-16(20-13)26-4-2-8-1-3-18-5-8)22(7-19-10)15-12(25)11(24)9(6-23)27-15/h1,3,5,7,9,11-12,15,18,23-25H,2,4,6H2,(H2,17,20,21)/t9-,11-,12-,15-/m1/s1 |
| Inchi Key | OBDCLFIHFXHMSJ-SDBHATRESA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 7.0 |
| Np Likeness Score | 0.8 |
| Records Key | ['17', '19'] |
| Records Name | ['(2R,3R,4S,5R)-2-(2-(2-(1H-pyrrol-3-yl)ethoxy)-6-amino-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol', 2-(3''-pyrrolylethyloxy)adenosine"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
