Details of the Drug

General Information of Drug (ID: DMXFNOD)

• Drug Name: Diarylamine and arylheteroarylamine pyrazole derivative 1
• Synonyms: PMID26609882-Compound-37
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 396.2
  Logarithm of the Partition Coefficient (xlogp); 5
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C17H13BrF3N3
  IUPAC Name: 3-(4-bromo-2-methylpyrazol-3-yl)-N-[4-(trifluoromethyl)phenyl]aniline
  Canonical SMILES: CN1C(=C(C=N1)Br)C2=CC(=CC=C2)NC3=CC=C(C=C3)C(F)(F)F
  InChI: InChI=1S/C17H13BrF3N3/c1-24-16(15(18)10-22-24)11-3-2-4-14(9-11)23-13-7-5-12(6-8-13)17(19,20)21/h2-10,23H,1H3
  InChIKey: ZAIICAYGFBFTHL-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 9978021
  TTD ID: D0WC8M

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 2A receptor (HTR2A)	TTJQOD7	5HT2A_HUMAN	Agonist	[1]

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
5-HT 2A receptor (HTR2A)	DTT	HTR2A	1.68E-01	-0.3	-0.14
5-HT 2A receptor (HTR2A)	DTT	HTR2A	5.59E-01	0.15	0.21

References

• [1] Novel serotonin receptor 2 (5-HT2R) agonists and antagonists: a patent review (2004-2014).Expert Opin Ther Pat. 2016;26(1):89-106.