Details of the Drug

General Information of Drug (ID: DM0LTNJ)

• Drug Name: PD-135222
• Synonyms: PD-135222; CHEMBL422187; SCHEMBL2021022; BDBM50281607

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); 320.4
  Logarithm of the Partition Coefficient (xlogp); 2.8
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C20H24N4
  IUPAC Name: 1-pyridin-2-yl-4-(4-pyridin-2-ylcyclohex-3-en-1-yl)piperazine
  Canonical SMILES: C1CC(=CCC1N2CCN(CC2)C3=CC=CC=N3)C4=CC=CC=N4
  InChI: InChI=1S/C20H24N4/c1-3-11-21-19(5-1)17-7-9-18(10-8-17)23-13-15-24(16-14-23)20-6-2-4-12-22-20/h1-7,11-12,18H,8-10,13-16H2
  InChIKey: MCTSZRVXVCAAHY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 15079632
  TTD ID: D0Q4BK

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

• 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] Synthesis and pharmacological evaluation of the enantiomers of the dopamine autoreceptor agonist PD 135385, Bioorg. Med. Chem. Lett. 3(4):639-644 (1993).