Details of the Drug

General Information of Drug (ID: DM5ESZU)

• Drug Name: CGP-25454A

Indication

Disease Entry	ICD 11	Status	REF
Major depressive disorder	6A70.3	Terminated	[1]

• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 346.2
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 7
  Hydrogen Bond Donor Count; 2
  Hydrogen Bond Acceptor Count; 4
• Chemical Identifiers:
  Formula: C15H21Cl2N3O2
  IUPAC Name: 4-chloro-5-cyano-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;hydrochloride
  Canonical SMILES: CCN(CC)CCNC(=O)C1=C(C=C(C(=C1)C#N)Cl)OC.Cl
  InChI: InChI=1S/C15H20ClN3O2.ClH/c1-4-19(5-2)7-6-18-15(20)12-8-11(10-17)13(16)9-14(12)21-3;/h8-9H,4-7H2,1-3H3,(H,18,20);1H
  InChIKey: ZETCQNUMZFZSLJ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 9819590
  TTD ID: D04LFG

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	Modulator	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Major depressive disorder
• ICD Disease Classification: 6A70.3

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] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800004095)
• [2] CGP 25454A, a novel and selective presynaptic dopamine autoreceptor antagonist. Naunyn Schmiedebergs Arch Pharmacol. 1994 Sep;350(3):230-8.