Docetaxel (Taxotere) structure · Taxane / microtubule

Docetaxel (Taxotere) 2D structure

Role: Drug
Family: Taxane diterpenoid series
Mechanism class: Taxane / microtubule
Aliases: taxotere
Parent scaffold: Taxane tetracyclic core

Structure source: Catalog seed (external identifier on file)
PubChem CID: 148124
ChEMBL ID: CHEMBL92

How similarity is calculated

Hand-written analysis

Mechanism

도세탁셀도 미세소관 안정화 탁산입니다. 파클리탁셀보다 용해도가 낫고 투약 전처치가 다릅니다. 호중구감소·체액저류가 두드러집니다.

Medicinal chemistry

10-디아세틸 바카틴 III에서 반합성합니다. C13 측쇄의 tert-부틸이 파클리탁셀과 갈립니다.

Indication · context

전립선·유방·폐 등에 쓰입니다. 카바지탁셀은 다제내성 펌프를 의식한 후속 탁산입니다.

SMILES

CC1=C2[C@H](C(=O)[C@@]3([C@H]([C@H]([C@]([C@H]([C@@H]4[C@H]([C@H]([C@@H](C4)O)O)OC(=O)C5=CC=CC=C5)O)(C3)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C6=CC=CC=C6)O)C)OC(=O)C)O)C

Related compounds

External IDs · BioMoa

PubChem CID 148124 CHEMBL92 BioMoa · Taxane / Taxotere BioMoa bridge Open on the family map Flow Structure table Mechanism class

StructureMoa is a chemical-structure exploration tool. Structural similarity, clustering, and SAR relationships are intended for research exploration and do not establish shared potency, selectivity, safety, efficacy, or clinical performance.

Methodology

Docetaxel (Taxotere) structure · mechanism