Details of the Drug

General Information of Drug (ID: DMGESCP)

• Drug Name: Bicyclo-heptan-2-amine derivative 1
• Synonyms: PMID28051882-Compound-19
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 312.5
  Logarithm of the Partition Coefficient (xlogp); 4.1
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C21H32N2
  IUPAC Name: 2-phenyl-N-(3-piperidin-1-ylpropyl)bicyclo[2.2.1]heptan-2-amine
  Canonical SMILES: C1CCN(CC1)CCCNC2(CC3CCC2C3)C4=CC=CC=C4
  InChI: InChI=1S/C21H32N2/c1-3-8-19(9-4-1)21(17-18-10-11-20(21)16-18)22-12-7-15-23-13-5-2-6-14-23/h1,3-4,8-9,18,20,22H,2,5-7,10-17H2
  InChIKey: XUIHNTYMWPNMJK-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 57519221
  TTD ID: D04OPJ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Sigma intracellular receptor 2 (TMEM97)	TT9NXW4	SGMR2_HUMAN	Ligand	[1]

References

• [1] Are sigma modulators an effective opportunity for cancer treatment A patent overview (1996-2016).Expert Opin Ther Pat. 2017 May;27(5):565-578.