Ferroptosis-centered Drug Response Information

General Information of the Drug (ID: ferrodrug0048)
Name
Calcitriol
Synonyms
calcitriol; Rocaltrol; Calcijex; 32222-06-3; Topitriol; 1alpha,25-Dihydroxyvitamin D3; Silkis; 1alpha,25-Dihydroxycholecalciferol; Soltriol; Vectical; 1,25-DHCC; 1,25-DIHYDROXYCHOLECALCIFEROL; 1,25-Dihydroxyvitamin D3; 1,25-Dihydroxyvitamin D; Calcitriolum; 1alpha,25(OH)2D3; Ro 21-5535; Dihydroxyvitamin D3; 1-alpha,25-Dihydroxyvitamin D3; DN-101; CHEMBL846; (1S,3R,5Z,7E)-9,10-secocholesta-5,7,10-triene-1,3,25-triol; 1a,25-Dihydroxyvitamin D3; FXC9231JVH; Ro-21-5535; 1,25-dihydroxy vitamin D3; 1a,25-Dihydroxycholecalciferol; CHEBI:17823; 1-alpha-25-dihydroxyvitamin D3; vit D; (1R,3S,Z)-5-((E)-2-((1R,3aS,7aR)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol; Ro-215535; DN 101; (5Z,7E)-9,10-Secocholesta-5,7,10(19)-triene-1alpha,3beta,25-triol; (1alpha,3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol; (5Z,7E)-(1S,3R)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol; 9,10-Secocholesta-5,7,10(19)-triene-1,3,25-triol, (1a,3b,5Z,7E)-; Ro 215535; 1,25-(OH)2D3; Toptriol; 1000873-74-4; 1alpha,25-Dihydroxyvitamin D; Decostriol; (1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol; (5Z,7E)-(1S,3R)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol; Calcitriolum [INN-Latin]; 1alpha,25-dihydroxyvitamin D3 / 1alpha,25-dihydroxycholecalciferol / calcitriol; (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol; 1,25-Dihydroxycholecaliferol; SMR000466393; 1,25 (OH)2 D3; CCRIS 5522; dihydroxy-vitamin D3; HSDB 3482; EINECS 250-963-8; UNII-FXC9231JVH; DTXSID5022722; Asentar; Panbonis; 1,25 Dihydroxycholecalciferol; 1,25-(OH)2-D3; 1.alpha.,25-dihydroxycholecalciferol; Calcitriol; (5Z,7E)-9,10-Secocholesta-5,7,10(19)-triene-1alpha,3beta,25-triol; 9,10-Secocholesta-5,7,10(19)-triene-1,3,25-triol, (1.alpha.,3.beta.,5Z,7E)-; 1alpha 25-dihydroxycholecalciferol; Rocaltrol (TN); NCGC00161327-04; (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol; 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL; U 49562; MFCD00867079; Calcitriol [USAN:USP:INN:BAN:JAN]; Cholecalciferol, 1-alpha,25-dihydroxy-; 1db1; starbld0021993; CALCITRIOL [MI]; CALCITRIOL [INN]; CALCITRIOL [JAN]; Spectrum5_002061; CALCITRIOL [HSDB]; CALCITRIOL [USAN]; 9,10-Seco(5Z,7E)-5,7,10(19)-cholestatriene-1alpha,3beta,25-triol; CALCITRIOL [VANDF]; 25-dihydroxycholecalciferol; 9,10-Secocholesta-5,7,10(19)-triene-1,3,25-triol, (1alpha,3beta,5Z,7E)-; CALCITRIOL [MART.]; SCHEMBL3245; CALCITRIOL [USP-RS]; CALCITRIOL [WHO-DD]; 1alpha,25(OH)2-D3; BSPBio_001287; Calcitriol (JAN/USP/INN); MLS000759536; MLS001424122; BML2-E03; GTPL2779; (1S,3R,5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol; CALCITRIOL [ORANGE BOOK]; BCBcMAP01_000160; CHEBI:93988; CALCITRIOL [EP MONOGRAPH]; Cas Number 32222-06-3; GMRQFYUYWCNGIN-NKMMMXOESA-N; BCPP000304; CALCITRIOL [USP MONOGRAPH]; HMS1361A09; HMS1791A09; HMS1989A09; HMS2051F06; HMS2089N03; HMS2232D18; HMS3402A09; 1 alpha ,25-Dihydroxyvitamin D3; EX-A4435; 1a,25-(OH)2D3; BDBM50200182; LMST03020258; NSC749776; s1466; 1-alpha,-1,25-Dihydroxyvitamin D3; AKOS015961898; AC-1859; BCP9000474; CCG-101001; CD-2027; CS-0388; DB00136; NC00251; NSC-749776; '1,25 DIHYDROXY VITAMIN D3'; 1,25(OH2)D3; IDI1_033757; 1,25(OH)2D3 & CD4; Calcitrol 100 microg/mL in Acetonitrile; NCGC00161327-01; (1R,3S,Z)-5-(2-((1R,3aS,7aR,E)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol; 1.alpha.,25-Dihydroxyvitamin D(sub 3); CPD000466393; HY-10002; RO215535; C3078; Vitamin D3-1alpha,25-dihydroxy (Calcitriol); 1,25D3; C01673; D00129; AB00639957-06; AB00639957_07; 1,25-DIHYDROXYCHOLECALCIFEROL, (1ALPHA)-; 1alpha,25-Dihydroxyvitamin D3, >=99% (HPLC); EN300-22411582; Q139195; SR-01000759361; SR-01000946978; 1alpha,25-Dihydroxyvitamin D3, >=97.0% (HPLC); SR-01000759361-4; SR-01000946978-1; 1.Alpha.,25-Dihydroxy-26,27-hexadeuterovitamin D3; BRD-K27316855-001-06-7; BRD-K27316855-001-19-0; (3b,5Z,7E)-9,10-Secocholesta-5,7,10(19)-trienetriol; Calcitriol, European Pharmacopoeia (EP) Reference Standard; (1?,3?,5Z,7E)-9,10-Secocholesta-5,7,10(19)-triene-1,3,25-triol; (5Z,10-secocholesta-5,7,10(19)-triene-1.alpha.,3.beta.,25-triol; (1S,3R,5Z,7E,14beta,17alpha)-9,10-secocholesta-5,7,10-triene-1,3,25-triol; 9,10-Secocholesta-5,7,10(19)-triene-1,3,25-triol, (1.alpha.,3.beta,.5Z,7E)-; 9,10-Secocholesta-5,7,10(19)-triene-1,3,25-triol, (1.alpha.,3.beta,.5Z,7E)- & CD4; (1R,3S)-5-{2-[(1R,3aS,7aR)-1-((R)-5-Hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-4-methylene-cyclohexane-1,3-diol; (1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol; 1,3-Cyclohexanediol, 4-methylene-5-[2-[(1R,3aS,7aR)-octahydro-1-[(1R)-5-hydroxy-1,5-dimethylhexyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1R,3S)-

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Structure
Formula
C27H44O3
IUPAC Name
(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Canonical SMILES
CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C
InChI
InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1
InChIKey
GMRQFYUYWCNGIN-NKMMMXOESA-N
PubChem CID
5280453
Full List of Ferroptosis Target Related to This Drug
Nuclear factor erythroid 2-related factor 2 (NFE2L2)
 Target Info 
In total 1 item(s) under this Target
Experiment 1 Reporting the Ferroptosis-centered Drug Act on This Target [1]
Target for Ferroptosis Marker/Suppressor
Responsed Disease Health ICD-11: N.A.
 Disease Info 
Responsed Regulator Kelch-like ECH-associated protein 1 (KEAP1) Driver
 Regulator Info 
Pathway Response Ferroptosis hsa04216
Pathways in cancer hsa05200
NF-kappa B signaling pathway hsa04064
Cell Process Cell ferroptosis
In Vitro Model ZFL cells Normal Danio rerio CVCL_3276
Response regulation This study confirmed the protective effect of calcitriol on RSL3-induced ferroptosis in zebrafish liver cells, and reported for the first time that calcitriol inhibits ferroptosis in fish cells by regulating the Keap1/Nrf2/GPx4 axis and NF-kB/hepcidin axis.
References
Ref 1 1,25(OH)(2)D(3) Inhibited Ferroptosis in Zebrafish Liver Cells (ZFL) by Regulating Keap1-Nrf2-GPx4 and NF-B-hepcidin Axis. Int J Mol Sci. 2021 Oct 20;22(21):11334. doi: 10.3390/ijms222111334.