Details of the Drug

General Information of Drug (ID: DM6NR9Y)

• Drug Name: Diarylamine and arylheteroarylamine pyrazole derivative 2
• Synonyms: PMID26609882-Compound-38
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 362.65
  Logarithm of the Partition Coefficient (xlogp); 4.8
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C16H13BrClN3
  IUPAC Name: 3-(4-bromo-2-methylpyrazol-3-yl)-N-(4-chlorophenyl)aniline
  Canonical SMILES: CN1C(=C(C=N1)Br)C2=CC(=CC=C2)NC3=CC=C(C=C3)Cl
  InChI: InChI=1S/C16H13BrClN3/c1-21-16(15(17)10-19-21)11-3-2-4-14(9-11)20-13-7-5-12(18)6-8-13/h2-10,20H,1H3
  InChIKey: CEDWMDLRVLLSQK-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 10361306
  TTD ID: D0OR4G

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.