Details of the Drug

General Information of Drug (ID: DM0YXRQ)

• Drug Name: PD-128483
• Synonyms: CCRIS 4394; PD-128483; PD 128483; 153260-23-2; 115688-97-6; C11H15N3S; 6-Methyl-4,5,5a,6,7,8-hexahydrothiazolo(4,5-f)quinolin-2-amine; 4,5,5a,6,7,8-Hexahydro-6-methylthiazolo(4,5-f)quinoline-2-amine; Thiazolo(4,5-f)quinolin-2-amine, 4,5,5a,6,7,8-hexahydro-6-methyl-, (+-)-; CCRIS 6698; 6-METHYL-4,5,5A,6,7,8-HEXAHYDROTHIAZOLO[4,5-F]QUINOLIN-2-AMINE; 4,5,5A,6,7,8-HEXAHYDRO-6-METHYLTHIAZOLO[4,5-F]QUINOLINE-2-AMINE; XFJSSDHKIXXJLM-UHFFFAOYSA-N; AC1L2Y0S; CHEMBL350920; SCHEMBL10665477; AKOS022654211; LS-172297; LS-190761
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 221.32
  Topological Polar Surface Area (xlogp); 1.3
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C11H15N3S
  IUPAC Name: 6-methyl-5,5a,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-f]quinolin-2-amine
  Canonical SMILES: CN1CCC=C2C1CCC3=C2N=C(S3)N
  InChI: InChI=1S/C11H15N3S/c1-14-6-2-3-7-8(14)4-5-9-10(7)13-11(12)15-9/h3,8H,2,4-6H2,1H3,(H2,12,13)
  InChIKey: XFJSSDHKIXXJLM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 130792
  CAS Number: 115688-97-6
  TTD ID: D01TSN

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	Inhibitor	[1]

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Dopamine D2 receptor (D2R)	DTT	DRD2	9.39E-01	-0.01	-0.05
Dopamine D2 receptor (D2R)	DTT	DRD2	9.91E-01	-0.02	-0.28

References

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• [8] Receptor reserve-dependent properties of antipsychotics at human dopamine D2 receptors. Eur J Pharmacol. 2009 Apr 1;607(1-3):35-40.
• [9] [The benzamides tiapride, sulpiride, and amisulpride in treatment for Tourette's syndrome]. Nervenarzt. 2007 Mar;78(3):264, 266-8, 270-1.
• [10] Modulatory role of dopamine D2 receptors and fundamental role of L-type Ca2+ channels in the induction of long-term potentiation in the basolateral... Eur J Pharmacol. 2009 Mar 15;606(1-3):90-3.
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