Details of the Drug

General Information of Drug (ID: DMIP5K7)

• Drug Name: N,N-Dimethyl-3,3-diphenylpropan-1-amine
• Synonyms: 3,3-Diphenyl-N-dimethylpropylamine; 4646-55-3; Oprea1_032403; N,N-Dimethyl-3,3-diphenylpropan-1-amine; AC1Q3WP9; AC1L45WF; diphenylalkylamine (DPA), 5c; SCHEMBL1802493; 3,3-Diphenylpropyldimethylamine; CHEMBL610739; CTK1C5217; BDBM35934; DTXSID90196845; (3,3-diphenylpropyl)dimethylamine; ZINC1679452; 3,3-diphenyl-N,N-dimethylpropylamine; AKOS016035475; Benzenepropanamine, N,N-dimethyl-gamma-phenyl-

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); 239.35
  Logarithm of the Partition Coefficient (xlogp); 3.4
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C17H21N
  IUPAC Name: N,N-dimethyl-3,3-diphenylpropan-1-amine
  Canonical SMILES: CN(C)CCC(C1=CC=CC=C1)C2=CC=CC=C2
  InChI: InChI=1S/C17H21N/c1-18(2)14-13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
  InChIKey: YHDCGYWZEFIUHE-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 151221
  CAS Number: 4646-55-3
  TTD ID: D02SDX

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	Inhibitor	[1]
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.