Details of the Drug

General Information of Drug (ID: DML54EA)

• Drug Name: Isopropyl dodecylfluorophosphonate
• Synonyms: IDFP; Isopropyl dodecylfluorophosphonate; 615250-02-7; CHEMBL333149; Isopropyl Dodecylphosphonofluoridate; isopropyl dodecylphosphonofluoridoate; C15H32FO2P; SCHEMBL6115190; CTK8E7841; DTXSID00647212; MolPort-006-822-693; HMS3648I13; BDBM50132717; 1797AH; Propan-2-yl dodecylphosphonofluoridate; RT-013317; LS-192335; Dodecyl(fluoro)phosphinic acid isopropyl ester; SR-01000946223

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); 294.39
  Logarithm of the Partition Coefficient (xlogp); 6.3
  Rotatable Bond Count (rotbonds); 13
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C15H32FO2P
  IUPAC Name: 1-[fluoro(propan-2-yloxy)phosphoryl]dodecane
  Canonical SMILES: CCCCCCCCCCCCP(=O)(OC(C)C)F
  InChI: InChI=1S/C15H32FO2P/c1-4-5-6-7-8-9-10-11-12-13-14-19(16,17)18-15(2)3/h15H,4-14H2,1-3H3
  InChIKey: SFRALHFBKRAJPW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 24762154
  CAS Number: 615250-02-7
  TTD ID: D0HQ4M

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Acetylcholinesterase (AChE)	TT1RS9F	ACES_HUMAN	Inhibitor	[1]
Cannabinoid receptor 1 (CB1)	TT6OEDT	CNR1_HUMAN	Inhibitor	[1]
Fatty acid amide hydrolase (FAAH)	TTDP1UC	NOUNIPROTAC	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
Acetylcholinesterase (AChE)	DTT	ACHE	6.39E-02	-1.07	-1.15

References

• [1] Activation of the endocannabinoid system by organophosphorus nerve agents. Nat Chem Biol. 2008 Jun;4(6):373-8.