Drug Information

Drug General Information
Drug ID
D07IPB
Former ID
DAP000650
Drug Name
Valrubicin
Synonyms
Valstar; Valrubicin [USAN]; Valstar Preservative Free; AD 32; Antibiotic AD 32; Valstar (TN); N-Trifluoroacetyladriamycin 14-valerate; N-Trifluoroacetyldoxorubicin 14-valerate; Trifluoroacetyladriamycin-14-valerate; Valrubicin (USP/INN); N-Trifluoroacetyladriamycin-14-valerate; Adriamycin, trifluoroacetyl-, 14-valerate; [2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-4-[5-hydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] pentanoate; (2S-cis)-2-(1,2,3,4,6,11-Hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-((2,3,6-trideoxy-3-((trifluoroacetyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-2-naphthacenyl)-2-oxoethyl pentanoate; (2S-cis)-Pentanoic acid, 2-(1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-((2,3,6-trideoxy-3-((trifluoroacetyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-2-naphth acenyl)-2-oxoethyl ester; (8S,10S)-8-Glycoloyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-(2,2,2-trifluoroacetamido)-alpha-L-lyxo-hexopyranosyl)oxy)-5,12-naphthacenedione 8(sup 2)-valerate; Pentanoic acid, 2-((2S,4S)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-((2,3,6-trideoxy-3-((trifluoroacetylamino)-, alpha-L-lysohexopyranoxyl)oxy)-2-naphthacenyl)-2-oxoethyl ester
Drug Type
Small molecular drug
Indication Bladder cancer [ICD9: 188; ICD10:C67] Approved [536361]
Psoriasis [ICD9: 696; ICD10:L40] Phase 2 [551871]
Therapeutic Class
Anticancer Agents
Structure
Download
2D MOL

3D MOL
Formula
C34H36F3NO13
Canonical SMILES
CCCCC(=O)OCC(=O)C1(CC(C2=C(C3=C(C(=C2C1)O)C(=O)C4=C(C3=<br />O)C(=CC=C4)OC)O)OC5CC(C(C(O5)C)O)NC(=O)C(F)(F)F)O
InChI
1S/C34H36F3NO13/c1-4-5-9-21(40)49-13-20(39)33(47)11-16-24(19(12-33)51-22-10-17(27(41)14(2)50-22)38-32(46)34(35,36)37)31(45)26-25(29(16)43)28(42)15-7-6-8-18(48-3)23(15)30(26)44/h6-8,14,17,19,22,27,41,43,45,47H,4-5,9-13H2,1-3H3,(H,38,46)/t14?,17?,19-,22?,27?,33-/m0/s1
InChIKey
ZOCKGBMQLCSHFP-ZQUOIQDWSA-N
CAS Number
CAS 56124-62-0
PubChem Compound ID
41744
PubChem Substance ID
136463, 11406363, 34707354, 46506642, 49865254, 50328818, 57312600, 87325143, 103186996, 104337807, 124893183, 126661727, 134223399, 134337940, 138732300, 141625900, 144224286, 152035083, 160963732, 176484665, 184548252, 223674112, 227841547, 248063169, 252216559
SuperDrug ATC ID
L01DB09
SuperDrug CAS ID
cas=056124620
Target and Pathway
Target(s) DNA topoisomerase II Target Info Inhibitor [537728]
References
Ref 536361Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77. Epub 2007 Feb 20.
Ref 551871Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
Ref 537728Metabolic activation of N-acylanthracyclines precedes their interaction with DNA topoisomerase II. NCI Monogr. 1987;(4):111-5.

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