Details of the Drug
General Information of Drug (ID: DMWA2DZ)
Drug Name |
Berotralstat
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Synonyms |
UNII-XZA0KB1BDQ; XZA0KB1BDQ; 1809010-50-1; BCX7353; BCX-7353; Berotralstat (USAN); Berotralstat [USAN]; 1-[3-(aminomethyl)phenyl]-N-(5-{(R)-(3-; cyanophenyl)[(cyclopropylmethyl)amino]methyl}-2-; fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-; Orladeyo; Berotralstat [INN]; Berotralstat [USAN:INN]; SCHEMBL21974728; GTPL11347; WHO 10907; D11673; 1-(3-(Aminomethyl)phenyl)-N-(5-((R)-(3-cyanophenyl)((cyclopropylmethyl)amino)methyl)-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide; 1H-pyrazole-5-carboxamide, 1-(3-(aminomethyl)phenyl)-N-(5-((R)-(3-cyanophenyl)((cyclopropylmethyl); 1H-Pyrazole-5-carboxamide, 1-(3-(aminomethyl)phenyl)-N-(5-((R)-(3-cyanophenyl)((cyclopropylmethyl)amino)methyl)-2-fluorophenyl)-3-(trifluoromethyl)-; 2-[3-(aminomethyl)phenyl]-N-[5-[(R)-(3-cyanophenyl)-(cyclopropylmethylamino)methyl]-2-fluorophenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
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Indication |
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Drug Type |
Small molecular drug
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Structure | ||||||||||||||||||||
3D MOL | 2D MOL | |||||||||||||||||||
#Ro5 Violations (Lipinski): 1 | Molecular Weight (mw) | 562.6 | ||||||||||||||||||
Topological Polar Surface Area (xlogp) | 4.5 | |||||||||||||||||||
Rotatable Bond Count (rotbonds) | 9 | |||||||||||||||||||
Hydrogen Bond Donor Count (hbonddonor) | 3 | |||||||||||||||||||
Hydrogen Bond Acceptor Count (hbondacc) | 9 | |||||||||||||||||||
ADMET Property |
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Chemical Identifiers |
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Cross-matching ID | ||||||||||||||||||||
Molecular Interaction Atlas of This Drug
Drug Therapeutic Target (DTT) |
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Molecular Interaction Atlas (MIA) | |||||||||||||||||||||||||||
Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug
References
1 | Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2020 | ||||
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2 | FDA Approved Drug Products: ORLADEYO (berotralstat) capsules, for oral use | ||||
3 | Ecallantide (DX-88), a plasma kallikrein inhibitor for the treatment of hereditary angioedema and the prevention of blood loss in on-pump cardiothoracic surgery. Expert Opin Biol Ther. 2008 Aug;8(8):1187-99. | ||||
4 | 2018 FDA drug approvals.Nat Rev Drug Discov. 2019 Feb;18(2):85-89. | ||||
5 | Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA) | ||||
6 | Clinical pipeline report, company report or official report of KalVista Pharmaceuticals. | ||||
7 | Clinical pipeline report, company report or official report of Oxurion. | ||||
8 | N-benzoylpyrazoles are novel small-molecule inhibitors of human neutrophil elastase. J Med Chem. 2007 Oct 4;50(20):4928-38. | ||||
9 | Novel 3-carboxamide-coumarins as potent and selective FXIIa inhibitors. J Med Chem. 2008 Jun 12;51(11):3077-80. | ||||