Details of the Drug

General Information of Drug (ID: DMK8P61)

• Drug Name: Tetradecane
• Synonyms: 629-59-4; N-TETRADECANE; Alkanes, C14-16; Tridecane, methyl-; CCRIS 715; Tetradecane, 99%; UNII-03LY784Y58; HSDB 5728; EINECS 211-096-0; NSC 72440; C14H30; BRN 1733859; AI3-04240; CHEBI:41253; BGHCVCJVXZWKCC-UHFFFAOYSA-N; MFCD00008986; 03LY784Y58; 90622-46-1; Tetradecane, analytical standard; Alkanes, C14-30; Tetradekan; n-Teradecane; Tetradecane olefine; EINECS 292-448-0; Paraffinic hydrocarbons (C14-C30); Tetradecane, > AC1L1ZHO; DSSTox_CID_7267; EC 211-096-0; DSSTox_RID_78378; ACMC-1B07Q; DSSTox_GSID_27267

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 198.39
  Logarithm of the Partition Coefficient (xlogp); 7.2
  Rotatable Bond Count (rotbonds); 11
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 0
• Chemical Identifiers:
  Formula: C14H30
  IUPAC Name: tetradecane
  Canonical SMILES: CCCCCCCCCCCCCC
  InChI: InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3
  InChIKey: BGHCVCJVXZWKCC-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 12389
  ChEBI ID: CHEBI:41253
  CAS Number: 629-59-4
  TTD ID: D0J0JY

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Lanosterol synthase (LSS)	TT7O8ZA	ERG7_HUMAN	Inhibitor	[1]

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.