EFLORNITHINE

Search structure
Synonyms:
Status: Approved (1990)
Entry Type: Small molecule
Molecule Category: Parent
ATC: D11AX16
UNII: ZQN1G5V6SR

Structure
InChI Key VLCYCQAOQCDTCN-UHFFFAOYSA-N
Smile NCCCC(N)(C(=O)O)C(F)F
InChI
InChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12F2N2O2
Molecular Weight 182.17
AlogP -0.23
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 89.34
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 12.0

Pharmacology

Primary Target
Ornithine decarboxylase
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Lyase
- - - 39000 -
Enzyme Protease Cysteine protease Cysteine protease CA clan Cysteine protease C1A family
- - - - 31
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 6

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Trypanosomiasis 4 D014352 ClinicalTrials
Colorectal Neoplasms 3 D015179 ClinicalTrials
Precancerous Conditions 3 D011230 ClinicalTrials
Astrocytoma 3 D001254 ClinicalTrials
Colorectal Neoplasms 3 D015179 ClinicalTrials
Adenomatous Polyposis Coli 3 D011125 ClinicalTrials
Urinary Bladder Neoplasms 3 D001749 ClinicalTrials
Uterine Cervical Neoplasms 2 D002583 ClinicalTrials
Stomach Neoplasms 2 D013274 ClinicalTrials
Neuroblastoma 2 D009447 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Trypanosomiasis, African 2 D014353 ClinicalTrials
Esophageal Neoplasms 2 D004938 ClinicalTrials
Carcinoma 1 D002277 ClinicalTrials

Related Entries

UNKNOWN

Cross References

Resources Reference
CAS NUMBER 70052-12-9
ChEBI 41948
ChEMBL CHEMBL830
DrugBank DB06243
DrugCentral 990
EPA CompTox DTXSID3020467
FDA SRS ZQN1G5V6SR
Guide to Pharmacology 5176
KEGG C07997
PubChem 3009
SureChEMBL SCHEMBL26327
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