Details of the Drug

General Information of Drug (ID: DMTUJWN)

• Drug Name: D-220
• Synonyms: CHEMBL468833; D-220; BDBM50261303

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 464.5
  Logarithm of the Partition Coefficient (xlogp); 4.4
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C22H27Cl2N5S
  IUPAC Name: 6-N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-6-N-prop-2-ynyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
  Canonical SMILES: C#CCN(CCN1CCN(CC1)C2=C(C(=CC=C2)Cl)Cl)C3CCC4=C(C3)SC(=N4)N
  InChI: InChI=1S/C22H27Cl2N5S/c1-2-8-28(16-6-7-18-20(15-16)30-22(25)26-18)12-9-27-10-13-29(14-11-27)19-5-3-4-17(23)21(19)24/h1,3-5,16H,6-15H2,(H2,25,26)
  InChIKey: AWFHSDHVMOYPMI-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44577152
  TTD ID: D00QMQ

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]
Dopamine D3 receptor (D3R)	TT4C8EA	DRD3_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

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

References

• [1] Bioisosteric heterocyclic versions of 7-{[2-(4-phenyl-piperazin-1-yl)ethyl]propylamino}-5,6,7,8-tetrahydronaphthalen-2-ol: identification of highly... J Med Chem. 2008 May 22;51(10):3005-19.