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

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: CHEBI:135627
CAS Number: 87056-78-8
DrugBank ID: DB09097
TTD ID: D0W9ZF

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)

MIA Detail

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)

MEA Detail

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.