| Entry |
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|---|---|---|---|---|---|---|---|---|---|---|---|
| Name | Pexidartinib hydrochloride (JAN/USAN); Turalio (TN) | ||||||||||
| Product | TURALIO (Daiichi Sankyo) | ||||||||||
| Formula | C20H15ClF3N5. HCl | ||||||||||
| Exact mass | 453.0735 | ||||||||||
| Mol weight | 454.2758 | ||||||||||
| Structure |  | ||||||||||
| Simcomp | |||||||||||
| Class | Metabolizing enzyme substrate DG01633 CYP3A/CYP3A4 substrate DG02913 CYP3A4 substrate DG02924 UGT substrate DG03182 UGT1A4 substrate | ||||||||||
| Remark |
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| Efficacy | Antineoplastic, Macrophage colony-stimulating factor receptor antagonist | ||||||||||
| Comment | Treatment of tenosynovial giant cell tumor | ||||||||||
| Target | CSF1R (FMS, CD115) [HSA:1436] [KO:K05090] KIT (CD117) [HSA:3815] [KO:K05091] FLT3* (CD135) [HSA_VAR:2322v2] [HSA:2322] [KO:K05092] | ||||||||||
| Pathway |
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| Metabolism | Enzyme: CYP3A4 [HSA:1576], UGT1A4 [HSA:54657] | ||||||||||
| Interaction | |||||||||||
| Brite | Anatomical Therapeutic Chemical (ATC) classification [BR:br08303] L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS L01 ANTINEOPLASTIC AGENTS L01E PROTEIN KINASE INHIBITORS L01EX Other protein kinase inhibitors L01EX15 Pexidartinib D11271 Pexidartinib hydrochloride (JAN/USAN) <US> USP drug classification [BR:br08302] Antineoplastics Molecular Target Inhibitors Pexidartinib D11271 Pexidartinib hydrochloride (JAN/USAN) Drug groups [BR:br08330] Metabolizing enzyme substrate DG01633 CYP3A/CYP3A4 substrate DG02913 CYP3A4 substrate DG02960 Pexidartinib D11271 Pexidartinib hydrochloride DG02924 UGT substrate DG03182 UGT1A4 substrate DG02960 Pexidartinib D11271 Pexidartinib hydrochloride Target-based classification of drugs [BR:br08310] Protein kinases Receptor tyrosine kinases (RTK) PDGFR family KIT (CD117) D11271 Pexidartinib hydrochloride (JAN/USAN) <US> FLT3* (CD135) [HSA_VAR:2322v2] D11271 Pexidartinib hydrochloride (JAN/USAN) <US> Cytokines and receptors Cytokine receptors CSF and other factor receptors CSF1R (FMS, CD115) D11271 Pexidartinib hydrochloride (JAN/USAN) <US> New drug approvals in the USA [br08319.html] New molecular entities and new therapeutic biological products D11271 New drug approvals in the USA, Europe and Japan [br08328.html] Approval dates by FDA, EMA and PMDA D11271 Drug metabolizing enzymes and transporters [br08309.html] Drug metabolizing enzymes D11271 Drug groups [BR:br08330] Metabolizing enzyme substrate DG01633 CYP3A/CYP3A4 substrate DG02913 CYP3A4 substrate DG02960 Pexidartinib DG02924 UGT substrate DG03182 UGT1A4 substrate DG02960 Pexidartinib | ||||||||||
| Other DBs |
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| KCF data | ATOM 30 1 C8x C 22.5023 -13.8367 2 C8y C 22.5023 -15.2344 3 C8x C 23.7601 -15.9332 4 N5x N 24.9481 -15.2344 5 C8y C 24.9481 -13.8367 6 C8x C 23.7601 -13.1379 7 C1d C 26.1361 -13.1379 8 X F 27.3940 -12.4391 9 X F 25.4373 -11.9499 10 X F 26.8350 -14.3259 11 C1b C 21.3143 -15.9332 12 N1b N 20.1263 -15.2344 13 C8y C 18.9383 -15.9332 14 N5x N 17.7503 -15.2344 15 C8x C 16.4924 -15.9332 16 C8y C 16.4924 -17.3308 17 C8x C 17.6804 -18.0297 18 C8x C 18.9383 -17.3308 19 C1b C 15.3044 -18.0297 20 C8y C 14.1164 -17.3308 21 C8x C 14.1164 -15.9332 22 N4x N 12.7886 -15.4440 23 C8y C 11.9500 -16.5621 24 C8y C 12.7187 -17.7501 25 N5x N 10.5524 -16.7019 26 C8x C 9.9234 -17.9598 27 C8y C 10.7620 -19.1478 28 C8x C 12.1597 -19.0080 29 X Cl 10.1331 -20.3358 30 X Cl 26.3900 -19.8800 BOND 32 1 1 2 2 2 2 3 1 3 3 4 2 4 4 5 1 5 5 6 2 6 1 6 1 7 5 7 1 8 7 8 1 9 7 9 1 10 7 10 1 11 2 11 1 12 11 12 1 13 12 13 1 14 13 14 2 15 14 15 1 16 15 16 2 17 16 17 1 18 17 18 2 19 13 18 1 20 16 19 1 21 19 20 1 22 20 21 2 23 21 22 1 24 22 23 1 25 23 24 1 26 20 24 1 27 23 25 2 28 25 26 1 29 26 27 2 30 27 28 1 31 24 28 2 32 27 29 1 |