Details of the Drug

General Information of Drug (ID: DMG9HIA)

Drug Name
Urofollitropin
Synonyms
Bravelle; Fertinex; Metrodin; Urofollitrophin; Fertinorm HP; Bravelle (TN); Fertinex (TN); Follistim (TN); Gonal-F(TN); (4-Threonine)oxytocin; 1,2-Dithia-5,8,11,14,17-penaazacycloeicosane, cyclic peptide deriv.; 4-(L-Threonine)oxytocin
Indication
Disease Entry ICD 11 Status REF
Female infertility GA31.Z Approved [1]
Therapeutic Class
Fertility Agents
Affected Organisms
Humans and other mammals
ATC Code
G03GA04: Urofollitropin
G03GA: Gonadotropins
G03G: GONADOTROPINS AND OTHER OVULATION STIMULANTS
G03: SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
G: GENITO URINARY SYSTEM AND SEX HORMONES
Drug Type
Small molecular drug
Sequence
>Alpha chain
APDVQDCPECTLQENPFFSQPGAPILQCMGCCFSRAYPTPLRSKKTMLVQKNVTSESTCC
VAKSYNRVTVMGGFKVENHTACHCSTCYYHKS
>Beta chain
NSCELTNITIAIEKEECRFCISINTTWCAGYCYTRDLVYKDPARPKIQKTCTFKELVYET
VRVPGCAHHADSLYTYPVATQCHCGKCDSDSTDCTVRGLGPSYCSFGEMKE
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 4 Molecular Weight (mw) 980.2
Logarithm of the Partition Coefficient (xlogp) -1.5
Rotatable Bond Count (rotbonds) 15
Hydrogen Bond Donor Count (hbonddonor) 12
Hydrogen Bond Acceptor Count (hbondacc) 15
ADMET Property
Absorption
The absorption of drug is 74% []
Elimination
The drug is excreted via kidney and liver []
Half-life
The concentration or amount of drug in body reduced by one-half in 3 - 4 hours [2]
Chemical Identifiers
Formula
C42H65N11O12S2
IUPAC Name
1-[19-amino-7-(2-amino-2-oxoethyl)-13-butan-2-yl-10-(1-hydroxyethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
Canonical SMILES
CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)NCC(=O)N)CC(=O)N)C(C)O
InChI
InChI=1S/C42H65N11O12S2/c1-6-21(4)33-40(63)52-34(22(5)54)41(64)49-28(16-31(44)56)37(60)50-29(19-67-66-18-25(43)35(58)47-27(38(61)51-33)15-23-9-11-24(55)12-10-23)42(65)53-13-7-8-30(53)39(62)48-26(14-20(2)3)36(59)46-17-32(45)57/h9-12,20-22,25-30,33-34,54-55H,6-8,13-19,43H2,1-5H3,(H2,44,56)(H2,45,57)(H,46,59)(H,47,58)(H,48,62)(H,49,64)(H,50,60)(H,51,61)(H,52,63)
InChIKey
ZDRRIRUAESZNIH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
62819
UNII
W9BB98U6HP
DrugBank ID
DB00094
TTD ID
D02SBQ
ACDINA ID
D01515
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Follicle-stimulating hormone receptor (FSHR) TTZFDBT FSHR_HUMAN Binder [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Female infertility
ICD Disease Classification GA31.Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Follicle-stimulating hormone receptor (FSHR) DTT FSHR 1.56E-02 -0.56 -1.34
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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

DIG
DIG Name DIG ID PubChem CID Functional Classification
Phosphoric acid E00039 1004 Acidulant; Buffering agent
Disodium hydrogenorthophosphate E00283 24203 Buffering agent; Complexing agent
Lactose monohydrate E00393 104938 Binding agent; Diluent; Dry powder inhaler carrier; Lyophilization aid
Polysorbate 20 E00664 Not Available Dispersing agent; Emollient; Emulsifying agent; Plasticizing agent; Solubilizing agent; Surfactant; Suspending agent
Pharmaceutical Formulation
Formulation Name Drug Dosage Dosage Form Route
Urofollitropin 75 iu/vial injectable 75 iu/vial Injectable Intramuscular; Subcutaneous
Jump to Detail Pharmaceutical Formulation Page of This Drug

References

1 Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77.
2 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
3 Follicle-stimulating hormone in clinical practice: an update. Treat Endocrinol. 2004;3(3):161-71.