Details of the Drug

General Information of Drug (ID: DMIAHVU)

Drug Name
2-deoxyglucose
Synonyms
154-17-6; Deoxyglucose; 2-Deoxy-D-mannose; 2-Deoxy-D-arabinohexose; UNII-9G2MP84A8W; D-Arabino-hexose, 2-deoxy-; HSDB 5484; arabino-Hexose, 2-deoxy-; D-Glucose, 2-deoxy-; 9G2MP84A8W; (3R,4S,5R)-3,4,5,6-tetrahydroxyhexanal; AK-44445; 2 Deoxyglucose; 2 Deoxy D glucose; 2 Desoxy D glucose; D-arabino-2-desoxyhexose; d-2-glucodesose; D-2dGlc; deoxy-d-glucose, 2-; 2-DEOXYLGLUCOSE; 2-INNo-D-AEIIC; SCHEMBL7670; AC1L33KH; KSC175S5P; 4-01-00-04282 (Beilstein Handbook Reference); Jsp003004; CHEMBL2074932; CTK0H5957; MolPort-002-317-302; 2-deoxy-D-glucose
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Approved [1]
Affected Organisms
Humans and other mammals
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 164.16
Logarithm of the Partition Coefficient (xlogp) -2.9
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C6H12O5
IUPAC Name
(3R,4S,5R)-3,4,5,6-tetrahydroxyhexanal
Canonical SMILES
C(C=O)[C@H]([C@@H]([C@@H](CO)O)O)O
InChI
InChI=1S/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2/t4-,5-,6+/m1/s1
InChIKey
VRYALKFFQXWPIH-PBXRRBTRSA-N
Cross-matching ID
PubChem CID
108223
CAS Number
154-17-6
UNII
9G2MP84A8W
DrugBank ID
DB08831
TTD ID
D0H3KI
VARIDT ID
DR00011

Molecular Interaction Atlas of This Drug


Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Sodium/glucose cotransporter 4 (SLC5A9) DT1CP40 SC5A9_HUMAN Substrate [2]
Sodium/glucose cotransporter 3 (SLC5A4) DTO4FLB SC5A4_HUMAN Substrate [3]
Sodium/glucose cotransporter 5 (SLC5A10) DTQNIG7 SC5AA_HUMAN Substrate [3]
Glucose transporter type 12 (SLC2A12) DTA5QI0 GTR12_HUMAN Substrate [4]
Proton-associated sugar transporter A (SLC45A1) DTMSNOU S45A1_HUMAN Substrate [5]
Glucose transporter type 6 (SLC2A6) DTS4MKQ GTR6_HUMAN Substrate [6]
Glucose transporter type 4, insulin-responsive (SLC2A4) DT4827A GLUT4_HUMAN Substrate [7]
Glucose transporter type 3, brain (SLC2A3) DT9SQ3L GTR3_HUMAN Substrate [8]
Glucose transporter type 14 (SLC2A14) DT18YD9 GTR14_HUMAN Substrate [9]
Sodium/glucose cotransporter 1 (SLC5A1) DTOKC04 SC5A1_HUMAN Substrate [10]
Glucose transporter type 8 (SLC2A8) DT2I7BM GTR8_HUMAN Substrate [6]
Glucose transporter type 7 (SLC2A7) DT8SQBG GTR7_HUMAN Substrate [6]
Glucose transporter type 2, liver (SLC2A2) DTUJPOL GTR2_HUMAN Substrate [11]
Glucose transporter type 10 (SLC2A10) DT3BI6S GTR10_HUMAN Substrate [12]
Glucose transporter type 1, erythrocyte/brain (SLC2A1) DTG3T6X GTR1_HUMAN Substrate [13]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
7SK snRNA methylphosphate capping enzyme (MEPCE) OTRBQEYP MEPCE_HUMAN Gene/Protein Processing [14]
Adiponectin (ADIPOQ) OTNX23LE ADIPO_HUMAN Regulation of Drug Effects [15]
Alpha-2-macroglobulin (A2M) OTFTX90K A2MG_HUMAN Regulation of Drug Effects [16]
AP-5 complex subunit sigma-1 (AP5S1) OTGS53SC AP5S1_HUMAN Gene/Protein Processing [14]
Apoptosis regulator BAX (BAX) OTAW0V4V BAX_HUMAN Gene/Protein Processing [17]
Caspase-3 (CASP3) OTIJRBE7 CASP3_HUMAN Protein Interaction/Cellular Processes [18]
Collagenase 3 (MMP13) OTY8BZIE MMP13_HUMAN Gene/Protein Processing [19]
DNA damage-inducible transcript 3 protein (DDIT3) OTI8YKKE DDIT3_HUMAN Gene/Protein Processing [18]
E3 ubiquitin-protein ligase Jade-2 (JADE2) OTVG2MYF JADE2_HUMAN Gene/Protein Processing [14]
Endoplasmic reticulum chaperone BiP (HSPA5) OTFUIRAO BIP_HUMAN Gene/Protein Processing [20]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction 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 7.5624 9.0878 4.7169 0.3292
GaMG CTRP1 7.9978 9.3783 4.7706 0.1055
Cancer Drug Sensitivity Data Curated from 8 Cell Line(s) in Endometrium Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
HEC-265 CTRP1 6.596 16.941 0.4556 26.9743
HEC-108 CTRP1 7.0503 8.5509 4.7137 0.6376
HEC-59 CTRP1 7.0764 8.6608 4.6833 0.7461
KLE CTRP1 7.2552 9.4019 4.4741 1.6208
MFE-319 CTRP1 7.2909 11.6146 3.5307 8.1022
HEC-6 CTRP1 7.9307 15.3994 2.165 15.3079
HEC-251 CTRP1 9.5777 18.6295 1.6963 13.8884
Ishikawa (Heraklio) 02 ER- CTRP1 6.6139 7.8958 4.7797 0.719
⏷ 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
KE-97 CTRP1 2.4067 13.6018 -1.5023 46.712
MC116 CTRP1 6.0797 6.9042 4.9316 0.5032
BL-70 CTRP1 7.0637 10.7381 3.7952 6.6928
Ku812 CTRP1 7.4155 9.0801 4.6643 0.5733
P3HR-1 CTRP1 7.4497 17.7604 0.6891 23.5981
HT CTRP1 8.9704 18.7209 1.2723 17.2326
⏷ 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 7.6059 9.9957 4.3974 1.6252
Cancer Drug Sensitivity Data Curated from 10 Cell Line(s) in Large Intestine Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
LS411N CTRP1 6.2821 10.246 3.5197 11.0331
DLD-1 CTRP1 6.6119 7.4863 4.9281 0.1653
SK-CO-1 CTRP1 6.7957 9.0293 4.4036 2.766
GP2d CTRP1 6.998 8.9068 4.5538 1.4905
C2BBe1 CTRP1 7.0424 14.0255 2.2201 17.5058
LS513 CTRP1 7.1624 8.6191 4.733 0.4853
SW48 CTRP1 7.2066 13.9645 2.3641 16.1704
COLO205 CTRP1 7.5437 15.3221 1.9417 17.5847
SNU-C2A CTRP1 7.9041 11.6113 3.8775 4.368
SW403 CTRP1 7.9517 9.466 4.7256 0.1825
⏷ 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 6.0279 7.3934 4.7008 2.1087
SNU-449 CTRP1 8.3 10.0688 4.6431 0.2448
Cancer Drug Sensitivity Data Curated from 54 Cell Line(s) in Lung Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
BEN CTRP1 5.9355 7.0906 4.7831 1.6844
NCI-H1930 CTRP1 6.1266 11.684 2.7013 17.5395
KNS-62 CTRP1 6.4569 9.5486 3.9708 6.8798
LCLC-103H CTRP1 6.5554 8.6764 4.4278 3.0531
NCI-H1048 CTRP1 6.6025 12.1731 2.8095 15.2064
Lu-99 CTRP1 6.6061 9.8032 3.9463 6.6749
NCI-H2029 CTRP1 6.6887 9.4088 4.1771 4.659
DV-90 CTRP1 6.8572 8.6763 4.5812 1.5151
NCI-H82 CTRP1 6.9125 12.7002 2.7711 14.4941
NCI-H1435 CTRP1 6.9349 8.7032 4.6061 1.2742
NCI-H810 CTRP1 6.9592 13.0944 2.613 15.3774
COLO 668 CTRP1 7.0399 9.9298 4.144 4.1501
Calu-6 CTRP1 7.0711 14.0318 2.2372 17.3198
DMS 273 CTRP1 7.0935 11.3109 3.5497 8.4603
RERF-LC-KJ CTRP1 7.1345 8.6758 4.7013 0.6246
LCLC-97TM1 CTRP1 7.1519 10.3562 4.0181 4.8354
SHP-77 CTRP1 7.1594 13.0943 2.7501 13.9001
NCI-H1437 CTRP1 7.1749 11.1879 3.6563 7.4624
Calu-3 CTRP1 7.1914 13.5789 2.5393 15.1488
VMRC-LCD CTRP1 7.1933 11.5847 3.4846 8.6842
NCI-H1915 CTRP1 7.2325 9.0729 4.5926 1.024
HCC78 CTRP1 7.2956 9.311 4.528 1.2826
EPLC-272H CTRP1 7.3207 9.9878 4.2662 2.797
HARA [Human squamous cell lung carcinoma] CTRP1 7.3497 9.6673 4.4115 1.8587
NCI-H650 CTRP1 7.3652 8.8896 4.7135 0.4338
Lu-65 CTRP1 7.3817 9.2945 4.5711 0.9856
COR-L88 CTRP1 7.3983 17.6276 0.7169 23.634
NCI-H1975 CTRP1 7.4003 12.1344 3.3581 9.0748
NCI-H2126 CTRP1 7.4429 19.9248 -0.3797 27.2745
NCI-H1793 CTRP1 7.4693 9.5103 4.526 1.1162
NCI-H358 CTRP1 7.5299 13.5277 2.7889 12.615
NCI-H2286 CTRP1 7.5454 8.8507 4.7922 0.1648
NCI-H2009 CTRP1 7.5561 11.617 3.6857 6.37
NCI-H727 CTRP1 7.5826 9.6612 4.5163 1.0569
NCI-H23 CTRP1 7.6087 9.71 4.5087 1.0683
NCI-H1573 CTRP1 7.6122 9.0298 4.7548 0.2199
HCC33 CTRP1 7.6278 9.6081 4.5548 0.8508
NCI-H522 CTRP1 7.6967 15.5142 1.9539 17.0936
COR-L279 CTRP1 7.6996 15.6776 1.8773 17.4917
NCI-H1568 CTRP1 7.7371 17.2418 1.1477 20.9024
EBC-1 CTRP1 7.7518 9.6154 4.6009 0.5902
NCI-H1944 CTRP1 7.7604 9.9214 4.4919 1.0123
LC-1/sq-SF CTRP1 7.766 14.68 2.398 14.4026
HCC44 CTRP1 7.8182 9.9722 4.4966 0.9453
NCI-H1355 CTRP1 7.9331 15.0621 2.3263 14.383
NCI-H2405 CTRP1 7.9677 10.0282 4.5353 0.6891
ChaGo-K-1 CTRP1 8.0074 17.5038 1.2092 19.9033
A-549 CTRP1 8.0719 10.6739 4.3373 1.4411
LXF 289 CTRP1 8.0783 9.9274 4.6126 0.3913
NCI-H1299 CTRP1 8.2119 10.1404 4.5872 0.4032
NCI-H661 CTRP1 8.3094 9.8999 4.7031 0.1418
NCI-H1666 CTRP1 9.3953 23.5922 -0.7703 23.7931
NCI-H1373 CTRP1 9.4289 19.6569 1.1268 16.8446
NCI-H1792 CTRP1 9.6174 18.0117 2.0021 12.2755
⏷ 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 7.5257 9.1363 4.6863 0.4352
KYSE-410 CTRP1 7.8448 13.7839 2.8691 11.2815
KYSE-140 CTRP1 8.2749 15.8084 2.1952 14.2602
Cancer Drug Sensitivity Data Curated from 6 Cell Line(s) in Ovary Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
COV318 CTRP1 6.756 8.0074 4.7964 0.5216
OVMANA CTRP1 7.015 8.3822 4.7616 0.4755
EFO-21 CTRP1 7.2596 11.3313 3.6416 7.3657
JHOS-4 CTRP1 7.3648 13.8573 2.5233 14.7486
SK-OV-3 CTRP1 7.5966 9.3287 4.6445 0.5324
HEY A8 CTRP1 7.7914 12.1931 3.5626 6.7276
⏷ 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
PaTu 8902 CTRP1 6.6628 9.2233 4.2456 4.1933
SUIT-2 CTRP1 6.8328 8.4391 4.6644 1.0765
QGP-1 CTRP1 7.1871 8.7758 4.6855 0.6496
HPAC CTRP1 7.1902 8.6293 4.7401 0.4441
CFPAC-1 CTRP1 7.2094 8.7874 4.6901 0.6149
HuP-T4 CTRP1 7.2125 9.6878 4.3375 2.5078
Panc 03.27 CTRP1 7.2688 10.8227 3.8767 5.618
Panc 10.05 CTRP1 7.401 9.222 4.6064 0.8128
KP-3 CTRP1 7.8622 10.2516 4.4096 1.297
Capan-2 CTRP1 7.915 10.0707 4.4991 0.8616
⏷ 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
NCI-H2052 CTRP1 6.9242 9.6333 4.2105 3.8999
MSTO-211H CTRP1 6.9469 9.5557 4.2568 3.5209
NCI-H28 CTRP1 8.1785 9.9938 4.6258 0.3201
Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Prostate Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
PaCa-3 CTRP1 7.2164 12.4446 3.0968 11.4007
Cancer Drug Sensitivity Data Curated from 5 Cell Line(s) in Skin Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
COLO 741 CTRP1 7.2427 13.676 2.5276 15.0719
Hs 944.T CTRP1 7.3561 13.0063 2.9223 12.2085
Hs 852.T CTRP1 7.5776 9.9485 4.4033 1.6259
G-361 CTRP1 8.1487 15.9251 2.0588 15.3295
Hs 936.T CTRP1 9.8383 19.9807 1.2327 15.5015
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 8.5685 17.1601 1.7482 15.912
Cancer Drug Sensitivity Data Curated from 6 Cell Line(s) in Stomach Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
Fu97 CTRP1 6.8302 9.0352 4.419 2.5982
SH-10-TC CTRP1 6.8371 8.9106 4.4751 2.2099
NUGC-4 CTRP1 7.5205 20.3948 -0.5536 27.5824
MKN7 CTRP1 7.8598 9.5429 4.6668 0.3388
MKN74 CTRP1 8.0688 10.3797 4.4466 0.9587
SNG-M CTRP1 7.5839 9.3876 4.6183 0.6329
⏷ 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 7.2096 9.2001 4.5334 1.3494
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 6.7453 11.1472 3.4026 10.52
HT-1376 CTRP1 7.2269 9.164 4.555 1.2166
UM-UC-3 CTRP1 8.2403 9.6383 4.7661 0.0773
KMBC-2 CTRP1 8.4269 16.6567 1.894 15.5105
5637 CTRP1 8.8026 17.4706 1.7524 15.3325

References

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13 Glutamine 161 of Glut1 glucose transporter is critical for transport activity and exofacial ligand binding. J Biol Chem. 1994 Aug 12;269(32):20533-8.
14 Development and validation of the TGx-HDACi transcriptomic biomarker to detect histone deacetylase inhibitors in human TK6 cells. Arch Toxicol. 2021 May;95(5):1631-1645. doi: 10.1007/s00204-021-03014-2. Epub 2021 Mar 26.
15 A collagen domain-derived short adiponectin peptide activates APPL1 and AMPK signaling pathways and improves glucose and fatty acid metabolisms. J Biol Chem. 2018 Aug 31;293(35):13509-13523. doi: 10.1074/jbc.RA118.001801. Epub 2018 Jul 10.
16 Activated 2-macroglobulin binding to human prostate cancer cells triggers insulin-like responses. J Biol Chem. 2015 Apr 10;290(15):9571-87. doi: 10.1074/jbc.M114.617837. Epub 2015 Feb 26.
17 Cytotoxic effects of mithramycin DIG-MSK can depend on the rise of autophagy. Toxicol In Vitro. 2015 Oct;29(7):1537-44. doi: 10.1016/j.tiv.2015.06.008. Epub 2015 Jun 13.
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19 IKK inibition by a glucosamine derivative enhances Maspin expression in osteosarcoma cell line. Chem Biol Interact. 2017 Jan 25;262:19-28. doi: 10.1016/j.cbi.2016.12.005. Epub 2016 Dec 6.
20 HHQ-4, a quinoline derivate, preferentially inhibits proliferation of glucose-deprived breast cancer cells as a GRP78 down-regulator. Toxicol Appl Pharmacol. 2019 Jun 15;373:10-25. doi: 10.1016/j.taap.2019.04.017. Epub 2019 Apr 22.