paclitaxel (taxol) Report issue

Small molecule Approved FDA Priority Review FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

853.9061

ALogP

3.74

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C3=CC=CC=C3)[C@@H]4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)C6=CC=CC=C6)C7=CC=CC=C7
  • InChIKey: RCINICONZNJXQF-MZXODVADSA-N
    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
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1089636   ChEMBL
ang1005

CHEMBL2108628   ChEMBL
paclitaxel poliglumex

CHEMBL428647   ChEMBL
paclitaxel

P88XT4IS4D   NCATS
paclitaxel *

Taxane   Wikipedia

DHA-paclitaxel   Wikipedia

Paclitaxel   Wikipedia

Protein-bound paclitaxel   Wikipedia

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