Details of the Drug

General Information of Drug (ID: DMJOQM3)

Drug Name
Eflornithine
Synonyms
EFLORNITHINE; Ornidyl; 70052-12-9; 2-(Difluoromethyl)ornithine; alpha-Difluoromethylornithine; Difluromethylornithine; Eflornitina [Spanish]; Eflornithinum [Latin]; 2,5-diamino-2-(difluoromethyl)pentanoic acid; alpha-(Difluoromethyl)-DL-ornithine; N-Difluoromethylornithine; DFMO (growth regulator); 67037-37-0; Eflornithine [INN:BAN]; 2-(Difluoromethyl)-DL-ornithine; DL-alpha-(Difluoromethyl)ornithine; MDL 71782; CCRIS 3295; Ornithine, 2-(difluoromethyl)-; Eflornithinum; Eflornitina; DFMO hydrochloride; DFMO hydrochloride hydrate; EFLORNITHINE HYDROCHLORIDE; BMS 203522; Alpha-DFMO HCl; Alpha-Difluoromethylornithine; Alpha-Difluoromethylornithine hydrochloride; CPP-1X; Eflornithine (INN); Ornidyl (TN); DL-alpha-Difluoromethylornithine; DL-alpha-Difluoromethylornithine hydrochloride hydrate; D,L-alpha-Difluoromethylornithine; Alpha-(Difluoromethyl)-DL-ornithine; Alpha,delta-Diamino-alpha-(difluoromethyl)valeric acid; Ornithine, 2-(difluoromethyl)-, monohydrochloride; DL-Ornithine, 2-(difluoromethyl)-, monohydrochloride; DL-Ornithine, 2-(difluoromethyl)-, monohydrochloride, monohydrate; 2,5-diamino-2-(difluoromethyl)pentanoic acid hydrochloride; 2-(Difluoromethyl)-DL-ornithine HCl; 2-(Difluoromethyl)-DL-ornithine hydrochloride; 2-(Difluoromethyl)-DL-ornithine monohydrochloride; 2-(Difluoromethyl)ornithine hydrochloride hydrate
Indication
Disease Entry ICD 11 Status REF
African trypanosomiasis 1F51 Approved [1]
Trypanosomiasis 1D51-1F53 Phase 2 [2]
Colon cancer 2B90.Z Investigative [3]
Familial adenomatous polyposis 2B90.Y Investigative [3]
Therapeutic Class
Anticancer Agents
Affected Organisms
Humans and other mammalsYeast, Molds, TrypanosomesTrypanosoma brucei gambiense
ATC Code
D11AX16: Eflornithine
D11AX: Other dermatologicals
D11A: OTHER DERMATOLOGICAL PREPARATIONS
D11: OTHER DERMATOLOGICAL PREPARATIONS
D: DERMATOLOGICALS
P01CX03: Eflornithine
P01CX: Other agents against leishmaniasis and trypanosomiasis
P01C: AGENTS AGAINST LEISHMANIASIS AND TRYPANOSOMIASIS
P01: ANTIPROTOZOALS
P: ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 182.17
Logarithm of the Partition Coefficient (xlogp) -2.9
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 6
ADMET Property
Bioavailability
55% of drug becomes completely available to its intended biological destination(s) [4]
Elimination
The drug is excreted via renal []
Half-life
The concentration or amount of drug in body reduced by one-half in 8 hours [5]
Metabolism
The drug is not metabolised []
Chemical Identifiers
Formula
C6H12F2N2O2
IUPAC Name
2,5-diamino-2-(difluoromethyl)pentanoic acid
Canonical SMILES
C(CC(C(F)F)(C(=O)O)N)CN
InChI
InChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)
InChIKey
VLCYCQAOQCDTCN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3009
ChEBI ID
CHEBI:41948
CAS Number
70052-12-9
UNII
ZQN1G5V6SR
DrugBank ID
DB06243
TTD ID
D0X7JR
VARIDT ID
DR00843
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

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 [6]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease African trypanosomiasis
ICD Disease Classification 1F51
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Ornithine decarboxylase (ODC1) DTT ODC1 5.20E-35 1.58 2.43
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

Experimental Cancer Drug Sensitivity Information

Cancer Drug Sensitivity Data Curated from 2 Cell Line(s) in Central Nervous System Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
SF295 CTRP1 7.3415 8.8803 4.7075 0.4655
GaMG CTRP1 7.8653 9.4914 4.6863 0.2882
Cancer Drug Sensitivity Data Curated from 8 Cell Line(s) in Endometrium Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
HEC-108 CTRP1 6.732 8.8048 4.466 2.4452
HEC-59 CTRP1 6.8041 8.5283 4.6157 1.3805
MFE-319 CTRP1 6.8673 9.0536 4.4299 2.4581
HEC-265 CTRP1 7.1074 8.2646 4.8373 0.202
HEC-251 CTRP1 7.4293 8.7791 4.7754 0.2335
KLE CTRP1 7.5766 9.5869 4.5415 0.9477
HEC-6 CTRP1 7.6855 8.8102 4.8526 0.0578
Ishikawa (Heraklio) 02 ER- CTRP1 5.9708 8.2767 4.2546 5.9091
⏷ Show the Full List of 8 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 6 Cell Line(s) in Haematopoietic And Lymphoid Tissue Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
HT CTRP1 6.0418 7.8386 4.5068 3.6032
MC116 CTRP1 6.3145 7.2082 4.9143 0.3717
BL-70 CTRP1 6.9783 7.9407 4.902 0.1093
P3HR-1 CTRP1 7.1825 8.7207 4.7036 0.5798
Ku812 CTRP1 7.1983 8.8047 4.679 0.6661
KE-97 CTRP1 7.4026 8.6776 4.8007 0.1871
⏷ Show the Full List of 6 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Kidney Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
VMRC-RCW CTRP1 6.8358 9.1183 4.3862 2.8121
Cancer Drug Sensitivity Data Curated from 10 Cell Line(s) in Large Intestine Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
LS513 CTRP1 5.7963 7.6216 4.4505 4.7581
SW48 CTRP1 6.4633 8.7473 4.344 3.8829
DLD-1 CTRP1 6.5578 7.5654 4.8796 0.3374
SK-CO-1 CTRP1 6.979 8.7101 4.6227 1.1319
LS411N CTRP1 7.2016 8.3275 4.849 0.1485
COLO205 CTRP1 7.2059 8.2944 4.8617 0.1247
SW403 CTRP1 7.3271 9.6388 4.4121 1.8825
GP2d CTRP1 7.7443 9.2888 4.7127 0.2691
C2BBe1 CTRP1 8.0584 9.8035 4.648 0.3097
SNU-C2A CTRP1 8.0932 10.4925 4.4143 1.0724
⏷ Show the Full List of 10 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 2 Cell Line(s) in Liver Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
JHH-6 CTRP1 6.6361 7.7108 4.8574 0.3682
SNU-449 CTRP1 8.8245 15.5418 2.6545 10.3408
Cancer Drug Sensitivity Data Curated from 54 Cell Line(s) in Lung Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
NCI-H1930 CTRP1 5.4071 7.2386 4.3545 6.923
BEN CTRP1 6.5196 7.6476 4.834 0.5502
HCC33 CTRP1 6.5414 8.3947 4.5421 2.2577
LXF 289 CTRP1 6.5554 9.7361 3.9454 6.8135
NCI-H1793 CTRP1 6.6328 9.1226 4.2731 4.0469
NCI-H1435 CTRP1 6.6584 10.0575 3.8603 7.2149
NCI-H1573 CTRP1 6.6746 12.1928 2.8507 14.6953
NCI-H2009 CTRP1 6.7298 10.1911 3.8429 7.1627
Lu-99 CTRP1 6.7575 8.2348 4.7106 0.9157
NCI-H2029 CTRP1 6.7612 8.5165 4.6004 1.5287
NCI-H1373 CTRP1 6.9112 8.9207 4.507 1.8881
NCI-H1944 CTRP1 6.9725 10.0852 4.0369 5.0814
DV-90 CTRP1 7.052 8.9225 4.5718 1.3215
NCI-H23 CTRP1 7.0662 9.323 4.4166 2.2255
HCC78 CTRP1 7.0806 8.7098 4.6664 0.8169
NCI-H82 CTRP1 7.0821 8.8302 4.6211 1.0313
LC-1/sq-SF CTRP1 7.0932 8.7089 4.6719 0.7809
NCI-H1299 CTRP1 7.105 9.7058 4.2753 3.0966
NCI-H522 CTRP1 7.1543 9.1168 4.5411 1.3691
NCI-H1568 CTRP1 7.1551 9.0309 4.5751 1.1882
SHP-77 CTRP1 7.1561 8.7703 4.6747 0.7166
EBC-1 CTRP1 7.1629 8.8155 4.6606 0.7718
HARA [Human squamous cell lung carcinoma] CTRP1 7.2127 8.8118 4.6822 0.6425
NCI-H810 CTRP1 7.228 8.706 4.7267 0.4665
KNS-62 CTRP1 7.2556 8.6001 4.7746 0.3032
NCI-H1666 CTRP1 7.2777 9.8544 4.3002 2.6431
LCLC-103H CTRP1 7.2792 8.5379 4.8047 0.2179
NCI-H2286 CTRP1 7.3087 8.8506 4.7056 0.4912
NCI-H1915 CTRP1 7.3242 8.963 4.6709 0.6077
NCI-H1355 CTRP1 7.336 9.4507 4.4909 1.4306
NCI-H2405 CTRP1 7.3427 9.6876 4.3998 1.934
DMS 273 CTRP1 7.3632 8.8115 4.7401 0.3521
NCI-H1975 CTRP1 7.3742 9.0758 4.6494 0.656
LCLC-97TM1 CTRP1 7.4128 10.0023 4.305 2.4073
COR-L279 CTRP1 7.4174 8.8023 4.7631 0.2671
NCI-H1437 CTRP1 7.4315 9.8756 4.3654 2.0177
NCI-H358 CTRP1 7.4357 9.5405 4.4997 1.2768
Calu-6 CTRP1 7.4498 9.0116 4.7017 0.4252
VMRC-LCD CTRP1 7.4678 9.2504 4.6224 0.695
HCC44 CTRP1 7.4682 9.5244 4.5199 1.145
NCI-H2126 CTRP1 7.4773 8.6698 4.8291 0.1178
NCI-H1048 CTRP1 7.4792 9.2236 4.6367 0.6321
A-549 CTRP1 7.5307 9.6306 4.5058 1.1525
Lu-65 CTRP1 7.5531 9.2028 4.6727 0.4627
NCI-H661 CTRP1 7.5864 9.5114 4.5736 0.8036
EPLC-272H CTRP1 7.625 9.5413 4.578 0.7571
RERF-LC-KJ CTRP1 7.6453 9.1805 4.7145 0.3011
NCI-H650 CTRP1 7.6659 9.1065 4.7473 0.2185
COLO 668 CTRP1 7.751 9.5748 4.6149 0.5421
NCI-H727 CTRP1 7.7957 9.6754 4.5959 0.5804
Calu-3 CTRP1 7.9284 9.6958 4.6383 0.3846
COR-L88 CTRP1 7.9428 9.3212 4.7706 0.1141
NCI-H1792 CTRP1 8.007 9.8495 4.6134 0.4187
ChaGo-K-1 CTRP1 8.2295 10.1382 4.594 0.3776
⏷ Show the Full List of 54 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 3 Cell Line(s) in Oesophagus Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
KYSE-450 CTRP1 7.1401 8.4847 4.7724 0.3651
KYSE-410 CTRP1 7.8041 9.7537 4.5709 0.6629
KYSE-140 CTRP1 8.5827 10.585 4.5666 0.3173
Cancer Drug Sensitivity Data Curated from 6 Cell Line(s) in Ovary Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
COV318 CTRP1 6.7189 7.6998 4.8925 0.2132
HEY A8 CTRP1 6.9016 8.8109 4.5473 1.6545
EFO-21 CTRP1 6.9987 8.5725 4.6841 0.8086
OVMANA CTRP1 7.2175 8.9692 4.6254 0.8822
SK-OV-3 CTRP1 7.2491 8.758 4.7161 0.4907
JHOS-4 CTRP1 7.2573 9.1237 4.5834 1.0427
⏷ Show the Full List of 6 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 10 Cell Line(s) in Pancreas Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
SUIT-2 CTRP1 5.8585 7.5059 4.5466 3.7608
PaTu 8902 CTRP1 7.0368 8.3507 4.781 0.3931
KP-3 CTRP1 7.1851 11.3256 3.599 7.8596
HPAC CTRP1 7.333 8.7965 4.7342 0.3846
CFPAC-1 CTRP1 7.4269 9.4671 4.5241 1.1645
QGP-1 CTRP1 7.507 9.1801 4.6632 0.5196
Panc 03.27 CTRP1 7.5954 8.9457 4.7772 0.179
Panc 10.05 CTRP1 7.872 9.566 4.663 0.3429
Capan-2 CTRP1 8.0452 13.9693 2.9066 10.5487
HuP-T4 CTRP1 8.0723 9.8608 4.6333 0.3401
⏷ Show the Full List of 10 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 3 Cell Line(s) in Pleura Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
MSTO-211H CTRP1 7.0527 9.3712 4.3899 2.4187
NCI-H2052 CTRP1 7.176 9.3983 4.4385 1.93
NCI-H28 CTRP1 7.1784 10.8308 3.8207 6.2299
Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Prostate Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
PaCa-3 CTRP1 6.7775 8.2378 4.7181 0.8572
Cancer Drug Sensitivity Data Curated from 5 Cell Line(s) in Skin Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
Hs 936.T CTRP1 6.017 7.5248 4.6354 2.6343
COLO 741 CTRP1 6.5428 9.8308 3.893 7.267
Hs 852.T CTRP1 7.1008 8.7073 4.6756 0.758
G-361 CTRP1 7.2246 8.9298 4.6431 0.7969
Hs 944.T CTRP1 7.2816 9.1665 4.5774 1.0481
Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Soft Tissue Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
G-401 CTRP1 7.6645 12.123 3.5209 7.2923
Cancer Drug Sensitivity Data Curated from 6 Cell Line(s) in Stomach Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
NUGC-4 CTRP1 6.7046 8.6497 4.5177 2.1424
SH-10-TC CTRP1 7.007 8.1657 4.8353 0.2452
Fu97 CTRP1 7.602 9.1033 4.7256 0.2899
MKN74 CTRP1 7.7784 9.9491 4.4887 1.0098
MKN7 CTRP1 8.1618 9.8134 4.6811 0.2093
SNG-M CTRP1 7.683 9.2723 4.6963 0.3327
⏷ Show the Full List of 6 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Upper Aerodigestive Tract Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
HSC-2 CTRP1 7.3401 8.6544 4.7864 0.2391
Cancer Drug Sensitivity Data Curated from 5 Cell Line(s) in Urinary Tract Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
RT-4 CTRP1 6.5428 10.6157 3.5206 10.2138
HT-1376 CTRP1 7.2936 9.5985 4.4128 1.9229
KMBC-2 CTRP1 7.314 8.8933 4.6923 0.5351
UM-UC-3 CTRP1 7.4457 9.0668 4.6805 0.4968
5637 CTRP1 7.5001 9.078 4.697 0.414

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5176).
2 ClinicalTrials.gov (NCT01636128) Urinary Biomarker Study With Sulindac and Difluoromethylornithine. U.S. National Institutes of Health.
3 Eflornithine FDA Label
4 Critical Evaluation of Human Oral Bioavailability for Pharmaceutical Drugs by Using Various Cheminformatics Approaches
5 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
6 Plasmodium falciparum and Plasmodium berghei: effects of ornithine decarboxylase inhibitors on erythrocytic schizogony. Exp Parasitol. 1987 Oct;64(2):237-43.