L1000 · CMap drug repurposing

Many names.
One molecule.

A drug travels under dozens of names — brand names, INNs, BRD IDs, ChEMBL IDs, DrugBank IDs. SynDRA resolves any of them to a single canonical compound and reveals every structural variant, cross-reference, and L1000 signature for the same molecule.

Try:
Gleevec STI-571 imatinib mesylate BRD-K92723945 1 compound one parent structure
One molecule, harmonized from every name and identifier it carries across sources.

No match found

No compound matched this term. SynDRA covers 67K+ compounds — try a generic name, INN, BRD ID, ChEMBL ID, or DrugBank ID.

harmonized synonyms
canonical compounds
resolved to structure
name-only entries retained
How it works

The same drug, scattered across names and identifiers — reassembled.

SynDRA integrates synonyms from LINCS 2020, TTD, PRISM, DrugCentral, DrugBank, PubChem, ChEMBL, and UniChem, then anchors every name to a standardized InChIKey so that salts, solvates, and stereoisomers of one molecule all resolve to the same canonical compound.

01

Harmonize names

Synonyms, brand names, and identifiers from 8 sources are Unicode-normalized and resolved to a single canonical node — keyed by a stable SynDRA ID. Entries with no structure are retained as name-only nodes rather than dropped.

02

Anchor to structure

Each compound is standardized with RDKit: desalted, charge-neutralized, and assigned a full InChIKey. Structural variants (salts, solvates, stereoforms) share a common connectivity skeleton and are linked automatically.

03

Bridge to L1000 & enrichment

Cross-references across 12 databases (ChEMBL, DrugBank, ChEBI, PubChem, BindingDB, KEGG…) are surfaced together, so one query recovers every L1000 signature and enrichment library member for the same molecule.

Open resource

Built on the full SynDRA map

The complete resource, build pipeline, and structural validation are open on GitHub. Cite SynDRA if it supports your work.

Corbaci, T. et al. SynDRA: Synonym Mapping for Alignment of Repurposing Therapeutics. Brazilian Symposium on Bioinformatics (BSB), 2025.