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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1201037
CHEMBL1201037
Compound Name EFLORNITHINE HYDROCHLORIDE HYDRATE
ChEMBL Synonyms ORNIDYL | EFLORNITHINE HYDROCHLORIDE | MDL-71782A | VANIQA | DFMO HCL | MDL 71,782 A | DIFLUROMETHYLORNITHINE
Max Phase 4 (Approved)
Trade Names ORNIDYL | VANIQA
Molecular Formula C6H15ClF2N2O3

Additional synonyms for CHEMBL1201037 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O.Cl.NCCCC(N)(C(F)F)C(=O)O
Standard InChI InChI=1S/C6H12F2N2O2.ClH.H2O/c7-4(8)6(10,5(11)12)2-1-3-9;;/h ...
Download InChI
Standard InChI Key FJPAMFNRCFEGSD-UHFFFAOYSA-N

Sources

  • Orange Book
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1201037

Molecule Features

CHEMBL1201037 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:N Parenteral:Y Topical:Y Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Ornithine decarboxylase inhibitor Ornithine decarboxylase DailyMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
SKIN NEOPLASMSD012878EFO:0004198SKIN NEOPLASM2ClinicalTrials

Clinical Data

ClinicalTrials.gov EFLORNITHINE HYDROCHLORIDE HYDRATE
The Cochrane Collaboration EFLORNITHINE HYDROCHLORIDE HYDRATE

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1201037. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL4581 Kinesin-like protein 1 Homo sapiens 0.711
CHEMBL3976 Dipeptidyl peptidase II Homo sapiens 0.489
CHEMBL2617 Tryptase beta-1 Homo sapiens 0.376
CHEMBL3813 Dipeptidyl peptidase IV Sus scrofa 0.201

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4581 Kinesin-like protein 1 Homo sapiens 0.909
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.404
CHEMBL3813 Dipeptidyl peptidase IV Sus scrofa 0.393
CHEMBL2617 Tryptase beta-1 Homo sapiens 0.277
CHEMBL2274 Sphingosine 1-phosphate receptor Edg-8 Homo sapiens 0.248
CHEMBL3976 Dipeptidyl peptidase II Homo sapiens 0.248
CHEMBL228 Serotonin transporter Homo sapiens 0.216
CHEMBL259 Melanocortin receptor 4 Homo sapiens 0.208

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
182.2 182.0867 -3.22 5 89.34 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 4 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.22 10.45 .09 -2.46 0 12 0.42

Structural Alerts

There are 3 structural alerts for CHEMBL1201037. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FJPAMFNRCFEGSD-UHFFFAOYSA-N
DailyMed eflornithine hydrochloride

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1201037



ChEBI 4762
eMolecules 29550700
MolPort MolPort-009-198-990
PubChem 91978096 441361
PubChem: Drugs of the Future 12012626
PubChem: Thomson Pharma 14847342
SureChEMBL SCHEMBL4510

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/FJPAMFNRCFEGSD-UHFFFAOYSA-N spacer
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