| Entry |
| ||||||
|---|---|---|---|---|---|---|---|
| Name | Sonidegib phosphate (USAN); Sonidegib diphosphate; Odomzo (TN) | ||||||
| Product | ODOMZO (Sun Pharmaceutical Industries) | ||||||
| Formula | C26H26F3N3O3. 2H3PO4 | ||||||
| Exact mass | 681.1464 | ||||||
| Mol weight | 681.4885 | ||||||
| Structure |  | ||||||
| Simcomp | |||||||
| Class | Antineoplastic DG01566 Hedgehog signaling inhibitor Metabolizing enzyme substrate DG01633 CYP3A/CYP3A4 substrate | ||||||
| Remark |
| ||||||
| Efficacy | Antineoplastic, Smoothened receptor antagonist | ||||||
| Disease | Basal cell carcinoma [DS:H00039] | ||||||
| Target | SMO [HSA:6608] [KO:K06226] | ||||||
| Pathway |
| ||||||
| Metabolism | Enzyme: CYP3A [HSA:1576 1577 1551] | ||||||
| Interaction | |||||||
| Brite | Anatomical Therapeutic Chemical (ATC) classification [BR:br08303] L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS L01 ANTINEOPLASTIC AGENTS L01X OTHER ANTINEOPLASTIC AGENTS L01XJ Hedgehog pathway inhibitors L01XJ02 Sonidegib D10729 Sonidegib phosphate (USAN) <US> USP drug classification [BR:br08302] Antineoplastics Molecular Target Inhibitors Sonidegib D10729 Sonidegib phosphate (USAN) Drug groups [BR:br08330] Antineoplastic DG01566 Hedgehog signaling inhibitor DG01854 Sonidegib D10729 Sonidegib phosphate Metabolizing enzyme substrate DG01633 CYP3A/CYP3A4 substrate DG01854 Sonidegib D10729 Sonidegib phosphate Target-based classification of drugs [BR:br08310] G Protein-coupled receptors Frizzled / Smoothened family Smoothened SMO D10729 Sonidegib phosphate (USAN) <US> New drug approvals in the USA [br08319.html] New molecular entities and new therapeutic biological products D10729 New drug approvals in Europe [br08329.html] European public assessment reports (EPAR) authorised medicine D10729 New drug approvals in the USA, Europe and Japan [br08328.html] Approval dates by FDA, EMA and PMDA D10729 Drug metabolizing enzymes and transporters [br08309.html] Drug metabolizing enzymes D10729 Drug groups [BR:br08330] Antineoplastic DG01566 Hedgehog signaling inhibitor DG01854 Sonidegib Metabolizing enzyme substrate DG01633 CYP3A/CYP3A4 substrate DG01854 Sonidegib | ||||||
| Other DBs |
| ||||||
| KCF data | ATOM 45 1 O2x O 11.9000 -14.7000 2 C1y C 11.9000 -16.1000 3 C1x C 13.1600 -16.8000 4 N1y N 14.3500 -16.1000 5 C1x C 14.3500 -14.7000 6 C1y C 13.1600 -13.9300 7 C1a C 13.1600 -12.5300 8 C1a C 10.7100 -16.8000 9 C8y C 15.6100 -16.8000 10 N5x N 15.6100 -18.2000 11 C8x C 16.8000 -18.9000 12 C8y C 17.9900 -18.2000 13 C8x C 17.9900 -16.8000 14 C8x C 16.8000 -16.1000 15 N1b N 19.2500 -18.9000 16 C5a C 20.4400 -18.2000 17 C8y C 21.6300 -18.9000 18 O5a O 20.4400 -16.8000 19 C8x C 21.6300 -20.3000 20 C8x C 22.8200 -21.0000 21 C8x C 24.0800 -20.3000 22 C8y C 24.0800 -18.9000 23 C8y C 22.8200 -18.2000 24 C1a C 22.8200 -16.8000 25 C8y C 25.2700 -18.2000 26 C8x C 26.4600 -18.8300 27 C8x C 27.6500 -18.1300 28 C8y C 27.6500 -16.7300 29 C8x C 26.4600 -16.1000 30 C8x C 25.2700 -16.8000 31 O2a O 28.9100 -16.0300 32 C1d C 30.1000 -16.7300 33 X F 31.2900 -16.1000 34 X F 30.1000 -18.2000 35 X F 31.2900 -17.4300 36 P1b P 36.1900 -19.2500 37 O1c O 36.1900 -17.8500 38 O1c O 37.5900 -19.2500 39 O1c O 34.7900 -19.2500 40 O1c O 36.1900 -20.6500 41 P1b P 36.1900 -19.2500 42 O1c O 36.1900 -17.8500 43 O1c O 37.5900 -19.2500 44 O1c O 34.7900 -19.2500 45 O1c O 36.1900 -20.6500 BOND 46 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 1 6 1 7 6 7 1 #Down 8 2 8 1 #Down 9 4 9 1 10 9 10 2 11 10 11 1 12 11 12 2 13 12 13 1 14 13 14 2 15 9 14 1 16 12 15 1 17 15 16 1 18 16 17 1 19 16 18 2 20 17 19 2 21 19 20 1 22 20 21 2 23 21 22 1 24 22 23 2 25 17 23 1 26 23 24 1 27 22 25 1 28 25 26 2 29 26 27 1 30 27 28 2 31 28 29 1 32 29 30 2 33 25 30 1 34 28 31 1 35 31 32 1 36 32 33 1 37 32 34 1 38 32 35 1 39 36 37 2 40 36 38 1 41 36 39 1 42 36 40 1 43 41 42 2 44 41 43 1 45 41 44 1 46 41 45 1 BRACKET 1 33.6000 -21.2800 33.6000 -17.0800 1 38.7800 -17.0800 38.7800 -21.2800 1 2 ORIGINAL 1 36 37 38 39 40 REPEAT 1 41 42 43 44 45 |