Details of the Drug

General Information of Drug (ID: DMDK86V)

• Drug Name: UNC9994
• Synonyms: CHEMBL2165138; UNC9994; SCHEMBL248630; GTPL7652; URYZTMIOHYGTNJ-UHFFFAOYSA-N; BDBM50395577; 5-{3-[4-(2,3-dichlorophenyl)piperidin-1-yl]propoxy}-1,3-benzothiazole

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 421.4
  Logarithm of the Partition Coefficient (xlogp); 6.2
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C21H22Cl2N2OS
  IUPAC Name: 5-[3-[4-(2,3-dichlorophenyl)piperidin-1-yl]propoxy]-1,3-benzothiazole
  Canonical SMILES: C1CN(CCC1C2=C(C(=CC=C2)Cl)Cl)CCCOC3=CC4=C(C=C3)SC=N4
  InChI: InChI=1S/C21H22Cl2N2OS/c22-18-4-1-3-17(21(18)23)15-7-10-25(11-8-15)9-2-12-26-16-5-6-20-19(13-16)24-14-27-20/h1,3-6,13-15H,2,7-12H2
  InChIKey: URYZTMIOHYGTNJ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 56599142
  TTD ID: D0Q2MX

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	[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] Discovery of beta-arrestin-biased dopamine D2 ligands for probing signal transduction pathways essential for antipsychotic efficacy. Proc Natl Acad Sci U S A. 2011 Nov 8;108(45):18488-93.