Details of the Drug

General Information of Drug (ID: DMTBAUG)

• Drug Name: 2,2-Diphenyl-ethylamine
• Synonyms: 2,2-Diphenylethylamine; 3963-62-0; 2,2-Diphenylethanamine; 2,2-Diphenyl-ethylamine; 1-Amino-2,2-diphenylethane; 2,2-Diphenylethan-1-Amine; CHEMBL10780; 2,2-Diphenylethylamine, 96%; RXMTUVIKZRXSSM-UHFFFAOYSA-N; NSC27209; EINECS 223-565-7; PubChem7986; ACMC-1CSWZ; 2,2-diphenylethyl-amine; 2,2- diphenylethylamine; AC1L2TCM; beta-phenylbenzeneethanamine; 2,2-diphenyl-ethyl-amine; 2,2-diphenyl ethyl amine; 2,2-di(phenyl)ethanamine; 2,2-Diphenylethanamine #; 2,2-bis-phenyl-ethylamine; AC1Q53LU; Benzeneethanamine, b-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); 197.27
  Logarithm of the Partition Coefficient (xlogp); 2.1
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C14H15N
  IUPAC Name: 2,2-diphenylethanamine
  Canonical SMILES: C1=CC=C(C=C1)C(CN)C2=CC=CC=C2
  InChI: InChI=1S/C14H15N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11,15H2
  InChIKey: RXMTUVIKZRXSSM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 77575
  CAS Number: 3963-62-0
  TTD ID: D0C7FL

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]

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
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] Exploring the relationship between binding modes of 9-(aminomethyl)-9,10-dihydroanthracene and cyproheptadine analogues at the 5-HT2A serotonin rec... Bioorg Med Chem Lett. 2001 Feb 26;11(4):563-6.