Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00386
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| Drug Name |
Idarubicin
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| Synonyms |
(1S,3S)-3-acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside; (1s,3s)-3-acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-A-l-lyxo-hexopyranoside; (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione; (7S-cis)-9-Acetyl-7-[(3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxy-5,12-naphthacenedione; 4-DMD; 4-Demethoxydaunomycin; 4-Demethoxydaunorubicin; 4-Desmethoxydaunorubicin; DM5; DMDR; I 1656; IMI 30; IMI-30; Idamycin; Idamycin (TN); Idarubicin (INN); Idarubicin Hcl; Idarubicin Hcl Pfs; Idarubicin [INN:BAN]; Idarubicin hydrochloride; Idarubicina; Idarubicina [INN-Spanish]; Idarubicine; Idarubicine [INN-French]; Idarubicinum; Idarubicinum [INN-Latin]; Zavedos; Zavedos (TN)
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| Drug Type |
Small molecular drug
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| Indication | Acute myeloid leukemia [ICD11:2A60] | Approved | [1] | |||
| Therapeutic Class |
Anticancer Agents
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| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C26H27NO9
|
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| Canonical SMILES |
CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)O)N)O
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| InChI |
InChI=1S/C26H27NO9/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3/t10-,15-,16-,17-,21+,26-/m0/s1
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| InChIKey |
XDXDZDZNSLXDNA-TZNDIEGXSA-N
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| CAS Number |
CAS 58957-92-9
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| Pharmaceutical Properties | Molecular Weight | 497.5 | Topological Polar Surface Area | 177 | ||
| Heavy Atom Count | 36 | Rotatable Bond Count | 3 | |||
| Hydrogen Bond Donor Count | 5 | Hydrogen Bond Acceptor Count | 10 | |||
| XLogP |
1.9
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| PubChem CID | ||||||
| PubChem SID |
103311042
,104340903
,11378086
,117597729
,117695696
,121361286
,124749845
,124891657
,126626724
,126661729
,127301008
,127301009
,127301010
,127301011
,127301012
,127301013
,127301014
,127301015
,127301016
,127301017
,127301018
,14810780
,14908709
,17405162
,24278488
,26697284
,26704230
,26704281
,34708383
,46506973
,47959947
,48416101
,49995025
,50106402
,50106403
,50106404
,53777706
,53788391
,57312753
,7887077
,794734
,7979585
,79820214
,8177897
,85789484
,87325144
,90340569
,92303774
,92308741
,96024754
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| ChEBI ID |
ChEBI:42068
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | BCRP | Transporter Info | Breast cancer resistance protein | Substrate | [2] | |
| MRP1 | Transporter Info | Multidrug resistance-associated protein 1 | Substrate | [3] | ||
| P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [2] | ||
| References | ||||||
| 1 | Idarubicin was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Amonafide L-malate is not a substrate for multidrug resistance proteins in secondary acute myeloid leukemia. Leukemia. 2008 Nov;22(11):2110-5. | |||||
| 3 | Human intestinal transporter database: QSAR modeling and virtual profiling of drug uptake, efflux and interactions. Pharm Res. 2013 Apr;30(4):996-1007. | |||||
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