Details of the Drug

General Information of Drug (ID: DM9WUH5)

• Drug Name: Bicyclo-heptan-2-amine derivative 2
• Synonyms: PMID28051882-Compound-20
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 330.5
  Logarithm of the Partition Coefficient (xlogp); 4.2
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C21H31FN2
  IUPAC Name: 2-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)bicyclo[2.2.1]heptan-2-amine
  Canonical SMILES: C1CCN(CC1)CCCNC2(CC3CCC2C3)C4=CC=C(C=C4)F
  InChI: InChI=1S/C21H31FN2/c22-20-9-7-18(8-10-20)21(16-17-5-6-19(21)15-17)23-11-4-14-24-12-2-1-3-13-24/h7-10,17,19,23H,1-6,11-16H2
  InChIKey: DJXNOCLZKSUJMI-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 57519222
  TTD ID: D0PF9X

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.