Details of the Drug

General Information of Drug (ID: DM749I3)

• Drug Name: Ubrogepant
• Synonyms: 1374248-77-7; UNII-AD0O8X2QJR; MK-1602; AD0O8X2QJR; Ubrogepant [USAN:INN]; Ubrogepant (USAN/INN); SCHEMBL3698428; CHEMBL2364638; GTPL10176; DTXSID00160178; DDOOFTLHJSMHLN-ZQHRPCGSSA-N; MK1602; ZINC95598454; SB19741; HY-12366; CS-0011109; D10673; (3S)-N-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-carboxamide

Indication

Disease Entry	ICD 11	Status	REF
Migraine	8A80	Approved	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 549.5
  Logarithm of the Partition Coefficient (xlogp); 3.1
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 8
• ADMET Property:
  Absorption Tmax: The time to maximum plasma concentration (Tmax) is 0.7-1.5 h [2]
  Clearance: The apparent oral clearance of drug is 87 L/h [2]
  Elimination: The main route of elimination is fecal/biliary, while renal excretion is comparatively minor - following administration of a single oral dose to healthy subjects, approximately 42% of the dose was recovered unchanged in the feces and 6% was recovered unchanged in the urine [2]
  Half-life: The concentration or amount of drug in body reduced by one-half in 5 - 7 hours [2]
  Metabolism: The drug is metabolized via the CYP3A4 [2]
  Vd: The volume of distribution (Vd) of drug is 350 L [2]
• Chemical Identifiers:
  Formula: C29H26F3N5O3
  IUPAC Name: (3S)-N-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-carboxamide
  Canonical SMILES: C[C@@H]1[C@@H](C[C@@H](C(=O)N1CC(F)(F)F)NC(=O)C2=CC3=C(C[C@@]4(C3)C5=C(NC4=O)N=CC=C5)N=C2)C6=CC=CC=C6
  InChI: InChI=1S/C29H26F3N5O3/c1-16-20(17-6-3-2-4-7-17)11-22(26(39)37(16)15-29(30,31)32)35-25(38)19-10-18-12-28(13-23(18)34-14-19)21-8-5-9-33-24(21)36-27(28)40/h2-10,14,16,20,22H,11-13,15H2,1H3,(H,35,38)(H,33,36,40)/t16-,20-,22+,28+/m1/s1
  InChIKey: DDOOFTLHJSMHLN-ZQHRPCGSSA-N
• Cross-matching ID:
  PubChem CID: 68748835
  CAS Number: 1374248-77-7
  DrugBank ID: DB15328
  TTD ID: D07GXR
  ACDINA ID: D01511

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Calcitonin gene-related peptide receptor (CGRPR)	TTY6O0Q	CALRL_HUMAN	Antagonist	[1]

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from Ubrogepant (Comorbidity)

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
Selpercatinib	DMZR15V	Moderate	Decreased metabolism of Ubrogepant caused by Selpercatinib mediated inhibition of CYP450 enzyme.	Lung cancer [2C25]	[3]

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG

DIG Name	DIG ID	PubChem CID	Functional Classification
Mannitol	E00103	6251	Diluent; Flavoring agent; Lyophilization aid; Plasticizing agent; Tonicity agent
Sodium stearyl fumarate	E00545	23665634	lubricant
Carmellose sodium	E00625	Not Available	Disintegrant
Sodium chloride	E00077	5234	Diluent; Tonicity agent
Tocophersolan	E00679	Not Available	Antioxidant; Binding agent; Emulsifying agent; Ointment base; Solubilizing agent; Surfactant; Suspending agent
Hydrophobic colloidal silica	E00285	24261	Anticaking agent; Emulsion stabilizing agent; Glidant; Suspending agent; Viscosity-controlling agent
Cellulose microcrystalline	E00698	Not Available	Adsorbent; Suspending agent; Diluent

Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Ubrogepant 100 mg tablet	100 mg	Tablet	Oral
Ubrogepant 50 mg tablet	50 mg	Tablet	Oral

Jump to Detail Pharmaceutical Formulation Page of This Drug

References

• [1] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2019
• [2] FDA Approved Drug Products: Ubrelvy (ubrogepant) oral tablets
• [3] Product Information. Ubrelvy (ubrogepant). Allergan Inc, Irvine, CA.