Drug Details

General Information of the Drug (ID: DR0421)
Name
Paclitaxel
Synonyms
paclitaxel TAXOL 33069-62-4 Taxol A Yewtaxan
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Molecular Type
Small molecule
Disease Ovarian cancer [ICD-11: 2C73] Investigative
Structure
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2D MOL

3D MOL

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Formula
C47H51NO14
PubChem CID
36314
Canonical SMILES
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C
InChI
InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1
InChIKey
RCINICONZNJXQF-MZXODVADSA-N
CAS Number
33069-62-4;92950-39-5
ChEBI ID
CHEBI:45863
DrugBank ID
DB01229
Target and Pathway
Target(s) Nuclear factor NF-kappa-B (NFKB)  Molecule Info