StructureMoaOncology · CNS · cardio-metabolic · ADC catalog

Drug · TOP1 inhibitor · TOP1 inhibitor · Sourced compound

Rubitecan structure · mechanism

PubChem CID 472335. Molecular formula C20H15N3O6. Independently assigned structure; reviewed 2026-10-08. Family grouping is editorial and does not establish shared activity.

Molecular structure from independently sourced SMILES

Rubitecan 2D structure

Role
Drug
Mechanism class
TOP1 inhibitor
InChIKey
VHXNKPBCCMUMSW-FQEVSTJZSA-N
Structure checked
2026-10-08
Molecular formula
C20H15N3O6
Structure source
PubChem
PubChem CID
472335
InChI Key
VHXNKPBCCMUMSW-FQEVSTJZSA-N

How similarity is calculated

SMILES

CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5[N+](=O)[O-])N=C4C3=C2)O

Tags

TOP1

Related compounds

  • IrinotecanSimilarity · Tanimoto 0.46 · DrugSourced compound
  • SN-38Similarity · Tanimoto 0.58 · DrugSourced compound
  • TopotecanSimilarity · Tanimoto 0.65 · DrugSourced compound

External IDs · BioMoa

PubChem CID 472335ChEMBLBioMoa · BioMoa에서 검색BioMoa · TOP1 ADC (DXd)BioMoa bridgeOpen on the family mapFlowStructure tableMechanism 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

Editorial responsibility and corrections

Operated and edited by the independent StructureMoa project. Explanations use AI assistance; structural identity and similarity are checked against source records and calculation tests. Molecular data and clinical or regulatory evidence have separate review scopes.

Source structures
PubChem · CID / SMILES / InChIKey
Calculations and automated checks
RDKit · Morgan / SMARTS
Disclosed specialist review
No separate external specialist review is disclosed. Passing automated tests is not specialist review of clinical claims.

For a correction, include the page URL, molecule name or CID, the field in question and a supporting source. Corrections are checked against sources, and the affected editorial update date is changed when a correction is published. [email protected]