Details of the Drug

General Information of Drug (ID: DMNOUSV)

• Drug Name: 3,3-diphenylpropan-1-amine
• Synonyms: 3,3-Diphenylpropylamine; 5586-73-2; 3,3-diphenylpropan-1-amine; UNII-C31E561S64; KISZTEOELCMZPY-UHFFFAOYSA-N; Benzenepropanamine, .gamma.-phenyl-; MFCD00008202; C31E561S64; 3-3-Diphenylpropylamine; 3,3-diphenylpropylamine e; 3,3-diphenylpropan-1-amin; EINECS 226-984-3; NSC137832; NSC 137832; ACMC-209lpx; 3.3-diphenylpropylamine; 3,3 Diphenylpropylamine; 3,3-diphenyl-propylamine; 3,3-diphenyl propylamine; EC 226-984-3; (3,3-diphenylpropyl)amine; AC1Q1HZ2; AC1L2XY3; TimTec1_004202; 3,3-Diphenyl-1-propanamine; Propylamine, 3,3-dipheny

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); 211.3
  Logarithm of the Partition Coefficient (xlogp); 3.1
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C15H17N
  IUPAC Name: 3,3-diphenylpropan-1-amine
  Canonical SMILES: C1=CC=C(C=C1)C(CCN)C2=CC=CC=C2
  InChI: InChI=1S/C15H17N/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12,16H2
  InChIKey: KISZTEOELCMZPY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 79698
  CAS Number: 5586-73-2
  TTD ID: D0B0PP

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Histamine H1 receptor (H1R)	TTTIBOJ	HRH1_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
Histamine H1 receptor (H1R)	DTT	HRH1	6.74E-01	0.13	0.43

References

• [1] Synthesis, structure-affinity relationships, and modeling of AMDA analogs at 5-HT2A and H1 receptors: structural factors contributing to selectivity. Bioorg Med Chem. 2009 Sep 15;17(18):6496-504.