Substrate Report for: Tenofovir-alafenamide
| Tenofovir-alafenamide | Type | Drug |
|---|
| | Pro-drug |
| | Aminopurin |
| | Propionate |
| Other_Name (4) |
| Chemical_Nomenclature | propan-2-yl (2S)-2-[[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoate |
| Formula | C21H29N6O5P |
| CAS_number | 379270-37-8 |
| MW | 476.5 |
|  |
| Paper (7) |
| Comment | A prodrug for tenofovir (HIV-1 reverse transcriptase inhibitor), used in combination therapy for the treatment of HIV-1 infection. L-alanine derivative, a phosphoramidate ester |
| Gene_locus | human-CTSA |
| | human-CES1 |
| CID | 9574768 |
| Family (2) |
| InChIKey | LDEKQSIMHVQZJK-CAQYMETFSA-N |
| CanonicalSMILES | CC(C)OC(=O)C(C)NP(=O)(COC(C)CN1C=NC2=C(N=CN=C21)N)OC3=CC=CC=C3 |
| InChI | InChI=1S/C21H29N6O5P/c1-14(2)31-21(28)16(4)26-33(29,32-17-8-6-5-7-9-17)13-30-15(3)10-27-12-25-18-19(22)23-11-24-20(18)27/h5-9,11-12,14-16H,10,13H2,1-4H3,(H,26,29)(H2,22,23,24)/t15-,16+,33+/m1/s1 |
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