Details of the Drug

General Information of Drug (ID: DMC6J3B)

• Drug Name: FAUC 113
• Synonyms: fauc-113; CHEMBL7927; FAUC 113; 221470-50-4; SCHEMBL1058707; CTK0I8746; DTXSID50439407; ZINC13438692; BDBM50073805; KB-272556; 3-((4-(4-chlorophenyl)piperazin-1-yl)methyl)H-pyrazolo[1,5-a]pyridine; 3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-pyrazolo[1,5-a]pyridine; 4-(4-Chloro-phenyl)-1-pyrazolo[1,5-a]pyridin-3-ylmethyl-piperazin-1-ium; Pyrazolo[1,5-a]pyridine, 3-[[4-(4-chlorophenyl)-1-piperazinyl]methyl]-

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); 326.8
  Logarithm of the Partition Coefficient (xlogp); 3.1
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C18H19ClN4
  IUPAC Name: 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
  Canonical SMILES: C1CN(CCN1CC2=C3C=CC=CN3N=C2)C4=CC=C(C=C4)Cl
  InChI: InChI=1S/C18H19ClN4/c19-16-4-6-17(7-5-16)22-11-9-21(10-12-22)14-15-13-20-23-8-2-1-3-18(15)23/h1-8,13H,9-12,14H2
  InChIKey: XVPRVMIFXXOEFR-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 10404144
  CAS Number: 221470-50-4
  TTD ID: D0G2CP

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Dopamine D4 receptor (D4R)	TTE0A2F	DRD4_HUMAN	Antagonist	[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 D4 receptor (D4R)	DTT	DRD4	1.90E-01	0.19	0.76

References

• [1] Comparative molecular field analysis of dopamine D4 receptor antagonists including 3-[4-(4-chlorophenyl)piperazin-1-ylmethyl]pyrazolo[1,5-a]pyridine (FAUC 113), 3-[4-(4-chlorophenyl)piperazin-1-ylmethyl]-1H-pyrrolo-[2,3-b]pyridine (L-745,870), and clozapine. J Med Chem. 2001 Apr 12;44(8):1151-7.