Details of the Drug

General Information of Drug (ID: DMGI9SM)

• Drug Name: Alpha-monofluoromethyl-3,4-dehydroornithine methyl ester
• Synonyms: MFMOme; Methyl, 2-fluoromethyl-2,5-diamino-3-pentenoate; Mdl-72403; methyl (E)-2,5-diamino-2-(fluoromethyl)pent-3-enoate; 2-(Fluoromethyl)dehydroornithine methyl ester; 107742-04-1; AC1O5Q3S; SCHEMBL6361254; 2,5-Diamino-2-(fluoromethyl)-3-pentenoic acid methyl ester; 96681-91-3; .alpha.-monofluoromethyldehydroornithine methyl ester; 3-Pentenoic acid, 2,5-diamino-2-(fluoromethyl)-, methyl ester

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 176.19
  Logarithm of the Partition Coefficient (xlogp); -1.1
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C7H13FN2O2
  IUPAC Name: methyl (E)-2,5-diamino-2-(fluoromethyl)pent-3-enoate
  Canonical SMILES: COC(=O)C(CF)(/C=C/CN)N
  InChI: InChI=1S/C7H13FN2O2/c1-12-6(11)7(10,5-8)3-2-4-9/h2-3H,4-5,9-10H2,1H3/b3-2+
  InChIKey: KIQXCFBLXGRXPY-NSCUHMNNSA-N
• Cross-matching ID:
  PubChem CID: 6438668
  CAS Number: 96681-91-3
  TTD ID: D08CKE

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Ornithine decarboxylase (ODC1)	TTUMGNO	DCOR_HUMAN	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
Ornithine decarboxylase (ODC1)	DTT	ODC1	5.20E-35	1.58	2.43

References

• [1] Plasmodium falciparum and Plasmodium berghei: effects of ornithine decarboxylase inhibitors on erythrocytic schizogony. Exp Parasitol. 1987 Oct;64(2):237-43.