Details of the Drug

General Information of Drug (ID: DM60TVK)

Drug Name

CQA 206-291

Synonyms

Cqa 206-291; Cqa-206-291; 93822-42-5; UNII-9I4I0M95U7; 9I4I0M95U7; N,N-Diethyl-N-(1-ethyl-6-methylergoline-8-yl)sulfamide; AC1L3TWB; SCHEMBL8195741; Sulfamide, N,N-diethyl-N'-((8alpha)-1-ethyl-6-methylergolin-8-yl)-

Indication

Disease Entry	ICD 11	Status	REF
Parkinson disease	8A00.0	Phase 3	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

404.6

Logarithm of the Partition Coefficient (xlogp)

2.4

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C21H32N4O2S
IUPAC Name: (6aR,9S,10aR)-9-(diethylsulfamoylamino)-4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline
Canonical SMILES: CCN1C=C2C[C@@H]3[C@H](C[C@@H](CN3C)NS(=O)(=O)N(CC)CC)C4=C2C1=CC=C4
InChI: InChI=1S/C21H32N4O2S/c1-5-24-13-15-11-20-18(17-9-8-10-19(24)21(15)17)12-16(14-23(20)4)22-28(26,27)25(6-2)7-3/h8-10,13,16,18,20,22H,5-7,11-12,14H2,1-4H3/t16-,18+,20+/m0/s1
InChIKey: ARTRTLXKTHJPRW-ILZDJORESA-N

Cross-matching ID

PubChem CID: 9953076
CAS Number: 93822-42-5
TTD ID: D07GJZ

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	[2]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Cytochrome P450 3A4 (CYP3A4)	OTQGYY83	CP3A4_HUMAN	Regulation of Drug Effects	[3]
Cytochrome P450 3A5 (CYP3A5)	OTSXFBXB	CP3A5_HUMAN	Regulation of Drug Effects	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Parkinson disease

ICD Disease Classification

8A00.0

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	CQA 206-291: a novel dopamine agonist in the treatment of Parkinson's disease. Clin Neuropharmacol. 1990 Aug;13(4):303-11.
2	The antiparkinsonian activity of CQA 206-291, a new D2 dopamine receptor agonist. Clin Neuropharmacol. 1989 Feb;12(1):55-9.
3	Characterization of the cytochrome P-450 gene family responsible for the N-dealkylation of the ergot alkaloid CQA 206-291 in humans. Drug Metab Dispos. 1992 Jan-Feb;20(1):56-63.