General Information of Drug (ID: DMCS6M5)

Drug Name
Voxelotor Drug Info
Synonyms
Hemoglobin Modulators-1; 1446321-46-5; UNII-3ZO554A4Q8; GBT 440; 3ZO554A4Q8; 2-hydroxy-6-([2-[1-(propan-2-yl)-1H-pyrazol-5-yl]pyridin-3-yl]methoxy)benzaldehyde; 2-hydroxy-6-((2-(1-isopropyl-1H-pyrazol-5-yl)pyridin-3-yl)methoxy)benzaldehyde; 2-hydroxy-6-((2-(1-(propan-2-yl)-1H-pyrazol-5-yl)pyridin-3-yl)methoxy)benzaldehyde; Voxelotor [USAN]; SCHEMBL15065529; Voxelotor(GBT440, GTx011); GTX-011; GBT-440; MolPort-044-830-677; FWCVZAQENIZVMY-UHFFFAOYSA-N; AKOS030526545; ZINC145969085; CS-5317; HY-18681; DA-44587; S
Indication
Disease Entry ICD 11 Status REF
Sickle-cell disorder 3A51 Approved [1]
Cross-matching ID
PubChem CID
71602803
CAS Number
CAS 1446321-46-5
TTD Drug ID
DMCS6M5
INTEDE Drug ID
DR1713
ACDINA Drug ID
D01530

Molecule-Related Drug Atlas

Molecule-Related Drug Atlas
Molecule Type:
DTT
DME
DOT
Drug Status:
Approved Drug(s)
Clinical Trial Drug(s)
Drug(s) Targeting Hemoglobin (HB)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Iron DMAP8MV Anemia of prematurity Approved [4]
Iron Dextran DM5OY70 Iron-deficiency anemia 3A00 Approved [4]
PolyHeme DMV8EXG Blood forming organ disorder JB64.1 Phase 3 [5]
Efaproxyn DMX7BM4 Lung cancer 2C25.0 Phase 3 [6]
Hemoglobin raffimer DMMTL7V Anemia 3A00-3A9Z Phase 2/3 [7]
GBT021601 DMD3C21 Sickle-cell disorder 3A51 Phase 2/3 [8]
FBS-0701 DMR3952 Iron overload disease 5C64.10 Phase 2 [9]
HQK-1001 DM7QUN0 Beta thalassemia 3A50.2 Phase 2 [10]
5-hydroxymethyl-2-furfural DMPFVJB Anemia 3A00-3A9Z Phase 2 [11]
OXY-111A DMTH75R Cardiovascular disease BA00-BE2Z Phase 1/2 [12]
⏷ Show the Full List of 10 Drug(s)
Drug(s) Metabolized By Cytochrome P450 3A4 (CYP3A4)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Doxorubicin DMVP5YE Acute myelogenous leukaemia 2A41 Approved [13]
Progesterone DMUY35B Amenorrhea GA20.0 Approved [14]
Tamoxifen DMLB0EZ Breast cancer 2C60-2C65 Approved [15]
Estradiol DMUNTE3 Acne vulgaris ED80 Approved [16]
Acetaminophen DMUIE76 Allergic rhinitis CA08.0 Approved [17]
Imatinib DM7RJXL Acute lymphoblastic leukaemia 2A85 Approved [18]
Etoposide DMNH3PG Acute myelogenous leukaemia 2A41 Approved [19]
Zidovudine DM4KI7O Human immunodeficiency virus infection 1C62 Approved [20]
Prasterone DM67VKL Chronic obstructive pulmonary disease CA22 Approved [14]
Verapamil DMA7PEW Angina pectoris BA40 Approved [21]
⏷ Show the Full List of 10 Drug(s)
Drug(s) Metabolized By Cytochrome P450 2C9 (CYP2C9)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Progesterone DMUY35B Amenorrhea GA20.0 Approved [22]
Tamoxifen DMLB0EZ Breast cancer 2C60-2C65 Approved [23]
Estradiol DMUNTE3 Acne vulgaris ED80 Approved [24]
Acetaminophen DMUIE76 Allergic rhinitis CA08.0 Approved [25]
Imatinib DM7RJXL Acute lymphoblastic leukaemia 2A85 Approved [26]
Zidovudine DM4KI7O Human immunodeficiency virus infection 1C62 Approved [25]
Verapamil DMA7PEW Angina pectoris BA40 Approved [27]
Diclofenac DMPIHLS Chronic renal failure GB61.Z Approved [28]
Estrone DM5T6US Acne vulgaris ED80 Approved [29]
Valproate DMCFE9I Epilepsy 8A60-8A68 Approved [30]
⏷ Show the Full List of 10 Drug(s)
Drug(s) Metabolized By Cytochrome P450 2B6 (CYP2B6)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Tamoxifen DMLB0EZ Breast cancer 2C60-2C65 Approved [31]
Verapamil DMA7PEW Angina pectoris BA40 Approved [25]
Diclofenac DMPIHLS Chronic renal failure GB61.Z Approved [32]
Estrone DM5T6US Acne vulgaris ED80 Approved [24]
Valproate DMCFE9I Epilepsy 8A60-8A68 Approved [33]
Irinotecan DMP6SC2 Adenocarcinoma 2D40 Approved [34]
Propofol DMB4OLE Anaesthesia 9A78.6 Approved [35]
Nicotine DMWX5CO Lung cancer 2C25.0 Approved [36]
Phenytoin DMNOKBV Epilepsy 8A60-8A68 Approved [37]
Amitriptyline DMK7F9S Depression 6A70-6A7Z Approved [38]
⏷ Show the Full List of 10 Drug(s)
Drug(s) Metabolized By Mephenytoin 4-hydroxylase (CYP2C19)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Amoxicillin DMUYNEI Acute otitis media AB00 Approved [39]
Progesterone DMUY35B Amenorrhea GA20.0 Approved [22]
Tamoxifen DMLB0EZ Breast cancer 2C60-2C65 Approved [40]
Estradiol DMUNTE3 Acne vulgaris ED80 Approved [41]
Zidovudine DM4KI7O Human immunodeficiency virus infection 1C62 Approved [25]
Verapamil DMA7PEW Angina pectoris BA40 Approved [42]
Diclofenac DMPIHLS Chronic renal failure GB61.Z Approved [43]
Valproate DMCFE9I Epilepsy 8A60-8A68 Approved [30]
Quinine DMSWYF5 Malaria 1F40-1F45 Approved [44]
Propofol DMB4OLE Anaesthesia 9A78.6 Approved [45]
⏷ Show the Full List of 10 Drug(s)
Drug(s) Affected By Hemoglobin subunit beta (HBB)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [46]
Zidovudine DM4KI7O Human immunodeficiency virus infection 1C62 Approved [47]
Arsenic trioxide DM61TA4 Acute lymphoblastic leukaemia 2A85 Approved [48]
Hydroquinone DM6AVR4 Melasma ED60.1 Approved [49]
Valproate DMCFE9I Epilepsy 8A60-8A68 Approved [50]
Ibrutinib DMHZCPO Mantle cell lymphoma 2A85.5 Approved [51]
Flucloxacillin DMNUWST Bacterial infection 1A00-1C4Z Approved [52]
Capecitabine DMTS85L Adenocarcinoma 2D40 Approved [53]
Fluorouracil DMUM7HZ Adenocarcinoma 2D40 Approved [54]
Progesterone DMUY35B Amenorrhea GA20.0 Approved [55]
⏷ Show the Full List of 10 Drug(s)

Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Hemoglobin (HB) TTQO71U HBA_HUMAN Modulator [1]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4) Main DME DE4LYSA CP3A4_HUMAN Substrate [2]
Cytochrome P450 2C9 (CYP2C9) DE5IED8 CP2C9_HUMAN Substrate [2]
Mephenytoin 4-hydroxylase (CYP2C19) DEGTFWK CP2CJ_HUMAN Substrate [2]
Cytochrome P450 2B6 (CYP2B6) DEPKLMQ CP2B6_HUMAN Substrate [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Hemoglobin subunit beta (HBB) OT514IKQ HBB_HUMAN Protein Interaction/Cellular Processes [3]

References

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2 FDA label of Fedratinib. The 2020 official website of the U.S. Food and Drug Administration.
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5 Blood substitutes- the polyheme trials. Mcgill J Med. 2008 January; 11(1): 59-65.
6 Increased oxygenation of intracranial tumors by efaproxyn (efaproxiral), an allosteric hemoglobin modifier: In vivo EPR oximetry study. Int J Radiat Oncol Biol Phys. 2005 Apr 1;61(5):1503-9.
7 Use of hemoglobin raffimer for postoperative life-threatening anemia in a Jehovah's Witness. Can J Anaesth. 2005 Apr;52(4):369-73.
8 GBT021601 improves red blood cell health and the pathophysiology of sickle cell disease in a murine model. Br J Haematol. 2023 Jul;202(1):173-183.
9 A high-affinity fully human anti-IL-6 mAb, 1339, for the treatment of multiple myeloma. Clin Cancer Res. 2009 Dec 1;15(23):7144-52.
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11 5-hydroxymethyl-2-furfural modifies intracellular sickle haemoglobin and inhibits sickling of red blood cells. Br J Haematol. 2005 Feb;128(4):552-61.
12 Modulating the oxygen affinity of human fetal haemoglobin with synthetic allosteric modulators. Br J Haematol. 1998 Sep;102(5):1165-71.
13 Expression levels and activation of a PXR variant are directly related to drug resistance in osteosarcoma cell lines. Cancer. 2007 Mar 1;109(5):957-65.
14 Contribution of human hepatic cytochrome P450 isoforms to regioselective hydroxylation of steroid hormones. Xenobiotica. 1998 Jun;28(6):539-47.
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17 Metabolic interactions between acetaminophen (paracetamol) and two flavonoids, luteolin and quercetin, through in-vitro inhibition studies. J Pharm Pharmacol. 2017 Dec;69(12):1762-1772.
18 Potent mechanism-based inhibition of CYP3A4 by imatinib explains its liability to interact with CYP3A4 substrates. Br J Pharmacol. 2012 Apr;165(8):2787-98.
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22 Progesterone and testosterone hydroxylation by cytochromes P450 2C19, 2C9, and 3A4 in human liver microsomes. Arch Biochem Biophys. 1997 Oct 1;346(1):161-9.
23 Tamoxifen inhibits cytochrome P450 2C9 activity in breast cancer patients. J Chemother. 2006 Aug;18(4):421-4.
24 Characterization of the oxidative metabolites of 17beta-estradiol and estrone formed by 15 selectively expressed human cytochrome p450 isoforms. Endocrinology. 2003 Aug;144(8):3382-98.
25 Summary of information on human CYP enzymes: human P450 metabolism data. Drug Metab Rev. 2002 Feb-May;34(1-2):83-448.
26 Drug-drug interactions with imatinib: an observational study. Medicine (Baltimore). 2016 Oct;95(40):e5076.
27 Drug interactions with calcium channel blockers: possible involvement of metabolite-intermediate complexation with CYP3A. Drug Metab Dispos. 2000 Feb;28(2):125-30.
28 New insights into the structural features and functional relevance of human cytochrome P450 2C9. Part I. Curr Drug Metab. 2009 Dec;10(10):1075-126.
29 A potential role for the estrogen-metabolizing cytochrome P450 enzymes in human breast carcinogenesis. Breast Cancer Res Treat. 2003 Dec;82(3):191-7.
30 A mechanistic approach to antiepileptic drug interactions. Ann Pharmacother. 1998 May;32(5):554-63.
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33 Insights into CYP2B6-mediated drug-drug interactions. Acta Pharm Sin B. 2016 Sep;6(5):413-425.
34 Drugs that may have potential CYP2B6 interactions.
35 Involvement of human cytochrome P450 2B6 in the omega- and 4-hydroxylation of the anesthetic agent propofol. Xenobiotica. 2007 Jul;37(7):717-24.
36 Nicotine and 4-(methylnitrosamino)-1-(3-pyridyl)-butanone metabolism by cytochrome P450 2B6. Drug Metab Dispos. 2005 Dec;33(12):1760-4.
37 PharmGKB summary: phenytoin pathway. Pharmacogenet Genomics. 2012 Jun;22(6):466-70.
38 Application of the relative activity factor approach in scaling from heterologously expressed cytochromes p450 to human liver microsomes: studies on amitriptyline as a model substrate. J Pharmacol Exp Ther. 2001 Apr;297(1):326-37.
39 High-dose rabeprazole/amoxicillin therapy as the second-line regimen after failure to eradicate H. pylori by triple therapy with the usual doses of a proton pump inhibitor, clarithromycin and amoxicillin. Hepatogastroenterology. 2003 Nov-Dec;50(54):2274-8.
40 Cytochrome P450 pharmacogenetics and cancer. Oncogene. 2006 Mar 13;25(11):1679-91.
41 CYP2C19*17 is associated with decreased breast cancer risk. Breast Cancer Res Treat. 2009 May;115(2):391-6.
42 Cytochromes of the P450 2C subfamily are the major enzymes involved in the O-demethylation of verapamil in humans. Naunyn Schmiedebergs Arch Pharmacol. 1995 Dec;353(1):116-21.
43 Diclofenac and its derivatives as tools for studying human cytochromes P450 active sites: particular efficiency and regioselectivity of P450 2Cs. Biochemistry. 1999 Oct 26;38(43):14264-70.
44 Organic anion-transporting polypeptide B (OATP-B) and its functional comparison with three other OATPs of human liver. Gastroenterology. 2001 Feb;120(2):525-33.
45 Possible involvement of multiple human cytochrome P450 isoforms in the liver metabolism of propofol. Br J Anaesth. 1998 Jun;80(6):788-95.
46 MS4A3-HSP27 target pathway reveals potential for haematopoietic disorder treatment in alimentary toxic aleukia. Cell Biol Toxicol. 2023 Feb;39(1):201-216. doi: 10.1007/s10565-021-09639-4. Epub 2021 Sep 28.
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48 Essential role of cell cycle regulatory genes p21 and p27 expression in inhibition of breast cancer cells by arsenic trioxide. Med Oncol. 2011 Dec;28(4):1225-54.
49 Changes in DNA methylation of erythroid-specific genes in K562 cells exposed to phenol and hydroquinone. Toxicology. 2013 Oct 4;312:108-14. doi: 10.1016/j.tox.2013.08.007. Epub 2013 Aug 20.
50 Integrative omics data analyses of repeated dose toxicity of valproic acid in vitro reveal new mechanisms of steatosis induction. Toxicology. 2018 Jan 15;393:160-170.
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52 Identification of flucloxacillin-modified hepatocellular proteins: implications in flucloxacillin-induced liver injury. Toxicol Sci. 2023 Mar 20;192(1):106-116. doi: 10.1093/toxsci/kfad015.
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