| Entry |
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|---|---|---|---|---|---|---|---|---|---|
| Name | Berotralstat hydrochloride (JAN/USAN); Orladeyo (TN) | ||||||||
| Product | ORLADEYO (BioCryst Pharmaceuticals) | ||||||||
| Formula | C30H26F4N6O. 2HCl | ||||||||
| Exact mass | 634.1638 | ||||||||
| Mol weight | 635.4825 | ||||||||
| Structure |  | ||||||||
| Class | Metabolizing enzyme inhibitor DG01645 CYP2D6 inhibitor DG02852 CYP3A/CYP3A4 inhibitor DG01522 CYP3A4 inhibitor Transporter substrate DG01665 ABCB1 substrate DG01913 ABCG2 substrate | ||||||||
| Remark |
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| Efficacy | Antiangioedema, Plasma kallikrein inhibitor | ||||||||
| Disease | Hereditary angioedema [DS:H01006] | ||||||||
| Comment | Prevention of angioedema attacks in patients with Hereditary angioedema (HAE) | ||||||||
| Target | KLKB1 [HSA:3818] [KO:K01324] | ||||||||
| Pathway |
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| Metabolism | Transporter: ABCB1 [HSA:5243], ABCG2 [HSA:9429] | ||||||||
| Interaction | CYP inhibition: CYP2D6 [HSA:1565], CYP3A4 [HSA:1576] | ||||||||
| Brite | Anatomical Therapeutic Chemical (ATC) classification [BR:br08303] B BLOOD AND BLOOD FORMING ORGANS B06 OTHER HEMATOLOGICAL AGENTS B06A OTHER HEMATOLOGICAL AGENTS B06AC Drugs used in hereditary angioedema B06AC06 Berotralstat D11674 Berotralstat hydrochloride (JAN/USAN) <JP/US> USP drug classification [BR:br08302] Immunological Agents Angioedema Agents Kallikrein Inhibitors Berotralstat D11674 Berotralstat hydrochloride (JAN/USAN) Therapeutic category of drugs in Japan [BR:br08301] 4 Agents affecting cellular function 44 Allergic agents 449 Miscellaneous 4490 Miscellaneous D11674 Berotralstat hydrochloride (JAN/USAN) Drug groups [BR:br08330] Metabolizing enzyme inhibitor DG01645 CYP2D6 inhibitor DG03079 Berotralstat D11674 Berotralstat hydrochloride DG02852 CYP3A/CYP3A4 inhibitor DG01522 CYP3A4 inhibitor DG03079 Berotralstat D11674 Berotralstat hydrochloride Transporter substrate DG01665 ABCB1 substrate DG03079 Berotralstat D11674 Berotralstat hydrochloride DG01913 ABCG2 substrate DG03079 Berotralstat D11674 Berotralstat hydrochloride Target-based classification of drugs [BR:br08310] Enzymes Hydrolases (EC3) Serine peptidases KLKB1 D11674 Berotralstat hydrochloride (JAN/USAN) <JP/US> New drug approvals in the USA [br08319.html] New molecular entities and new therapeutic biological products D11674 New drug approvals in Europe [br08329.html] European public assessment reports (EPAR) authorised medicine D11674 New drug approvals in Japan [br08318.html] Drugs with new active ingredients D11674 New drug approvals in the USA, Europe and Japan [br08328.html] Approval dates by FDA, EMA and PMDA D11674 Drug metabolizing enzymes and transporters [br08309.html] Drug metabolizing enzymes D11674 Drug transporters D11674 Drug groups [BR:br08330] Metabolizing enzyme inhibitor DG01645 CYP2D6 inhibitor DG03079 Berotralstat DG02852 CYP3A/CYP3A4 inhibitor DG01522 CYP3A4 inhibitor DG03079 Berotralstat Transporter substrate DG01665 ABCB1 substrate DG03079 Berotralstat DG01913 ABCG2 substrate DG03079 Berotralstat | ||||||||
| Other DBs |
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| KCF data | ATOM 43 1 C8x C 14.2450 -16.3398 2 C8y C 13.4071 -17.4571 3 N5x N 14.1752 -18.5744 4 N4y N 15.5717 -18.2252 5 C8y C 15.5717 -16.8286 6 C5a C 16.7588 -16.1304 7 N1b N 17.9459 -16.8286 8 O5a O 16.7588 -14.7338 9 C8y C 19.1330 -16.1304 10 C8x C 20.3899 -16.8286 11 C8y C 21.6468 -16.1304 12 C8x C 21.6468 -14.7338 13 C8x C 20.4597 -14.0355 14 C8y C 19.1330 -14.7338 15 X F 17.9459 -14.0355 16 C1c C 22.8339 -16.8286 17 C8y C 24.0210 -16.1304 18 C8x C 25.2081 -16.8286 19 C8x C 26.4650 -16.1304 20 C8x C 26.4650 -14.7338 21 C8y C 25.2779 -14.0355 22 C8x C 24.0210 -14.7338 23 C3b C 25.2779 -12.6389 24 N3a N 25.2779 -11.2424 25 N1b N 22.8339 -18.2252 26 C1b C 24.0210 -18.9235 27 C8y C 16.7588 -18.9235 28 C8x C 16.7588 -20.3201 29 C8x C 18.0157 -21.0882 30 C8x C 19.2028 -20.3201 31 C8y C 19.2028 -18.9235 32 C8x C 18.0157 -18.2252 33 C1b C 20.4597 -18.2252 34 N1a N 21.6468 -18.9235 35 C1y C 25.2081 -18.2252 36 C1x C 26.6046 -18.2252 37 C1x C 25.9063 -17.0381 38 C1d C 12.0105 -17.4571 39 X F 10.6139 -17.4571 40 X F 12.0105 -16.0605 41 X F 12.0105 -18.8537 42 X Cl 22.2600 -21.2800 43 X Cl 25.0600 -21.2800 BOND 45 1 1 2 1 2 2 3 2 3 3 4 1 4 4 5 1 5 1 5 2 6 6 7 1 7 6 5 1 8 6 8 2 9 7 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 14 15 1 17 11 16 1 18 16 17 1 19 17 18 2 20 18 19 1 21 19 20 2 22 20 21 1 23 21 22 2 24 17 22 1 25 21 23 1 26 23 24 3 27 16 25 1 #Up 28 25 26 1 29 4 27 1 30 27 28 2 31 28 29 1 32 29 30 2 33 30 31 1 34 31 32 2 35 27 32 1 36 31 33 1 37 33 34 1 38 26 35 1 39 35 36 1 40 36 37 1 41 37 35 1 42 2 38 1 43 38 39 1 44 38 40 1 45 38 41 1 |