Details of the Drug

General Information of Drug (ID: DM7WI4Q)

Drug Name
Quinagolide
Synonyms
Norprolac; 87056-78-8; Quinagolidum; SDZ 205-502; Quinagolide (INN/BAN); AC1MJ64J; SCHEMBL143485; CHEMBL290962; CHEBI:135627; ZINC3778441; BDBM50225362; DB09097; D07217; 056Q788; UNII-80Q9QWN15M component GDFGTRDCCWFXTG-ZIFCJYIRSA-N; (3S,4aS,10aR)-3-(diethylsulfamoylamino)-6-hydroxy-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline
Indication
Disease Entry ICD 11 Status REF
Hyperprolactinaemia 5A60.1 Approved [1]
Therapeutic Class
Fertility Agents
ATC Code
G02CB04: Quinagolide
G02CB: Prolactine inhibitors
G02C: OTHER GYNECOLOGICALS
G02: OTHER GYNECOLOGICALS
G: GENITO URINARY SYSTEM AND SEX HORMONES
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 395.6
Logarithm of the Partition Coefficient (xlogp) 3.1
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
ADMET Property
Absorption Tmax
The time to maximum plasma concentration (Tmax) is 1.5 h [2]
Bioavailability
The bioavailability of drug is 64% [2]
Half-life
The concentration or amount of drug in body reduced by one-half in 11.5 hours [3]
Vd
The volume of distribution (Vd) of drug is 100 L []
Chemical Identifiers
Formula
C20H33N3O3S
IUPAC Name
(3S,4aS,10aR)-3-(diethylsulfamoylamino)-6-hydroxy-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline
Canonical SMILES
CCCN1C[C@H](C[C@H]2[C@H]1CC3=C(C2)C(=CC=C3)O)NS(=O)(=O)N(CC)CC
InChI
InChI=1S/C20H33N3O3S/c1-4-10-22-14-17(21-27(25,26)23(5-2)6-3)11-16-12-18-15(13-19(16)22)8-7-9-20(18)24/h7-9,16-17,19,21,24H,4-6,10-14H2,1-3H3/t16-,17+,19-/m1/s1
InChIKey
GDFGTRDCCWFXTG-ZIFCJYIRSA-N
Cross-matching ID
PubChem CID
3086401
ChEBI ID
CHEMBL135627
CAS Number
87056-78-8
UNII
80Q9QWN15M
DrugBank ID
DB09097
TTD ID
D0W9ZF
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
Dopamine D2 receptor (D2R) TTEX248 DRD2_HUMAN Agonist [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Hyperprolactinaemia
ICD Disease Classification 5A60.1
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Dopamine D2 receptor (D2R) DTT DRD2 2.50E-02 -0.08 -0.49
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas 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 FDA Approved Drug Products: Nurtec ODT (rimegepant) orally disintegrating tablets
3 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
4 Effect of dopamine receptor agonists on sensory nerve activity: possible therapeutic targets for the treatment of asthma and COPD. Br J Pharmacol. 2002 Jun;136(4):620-8.