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
Structure
3D MOL 2D MOL
#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
CHEMBL41253
CAS Number
629-59-4
TTD ID
D0J0JY
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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