StructureMoaOncology · CNS · cardio-metabolic · ADC catalog

Drug · JAK inhibitor · JAK inhibitor · Sourced compound

Baricitinib structure · mechanism

PubChem CID 44205240. Molecular formula C16H17N7O2S. Independently assigned structure; reviewed 2026-10-08. Family grouping is editorial and does not establish shared activity.

Molecular structure from independently sourced SMILES

Baricitinib 2D structure

Role
Drug
Mechanism class
JAK inhibitor
InChIKey
XUZMWHLSFXCVMG-UHFFFAOYSA-N
Structure checked
2026-10-08
Molecular formula
C16H17N7O2S
Structure source
PubChem
PubChem CID
44205240
InChI Key
XUZMWHLSFXCVMG-UHFFFAOYSA-N

How similarity is calculated

SMILES

CCS(=O)(=O)N1CC(C1)(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3

Tags

JAK1/2

Related compounds

  • RuxolitinibSimilarity · Tanimoto 0.48 · DrugSourced compound
  • TofacitinibSimilarity · Tanimoto 0.31 · DrugSourced compound
  • UpadacitinibSimilarity · Tanimoto 0.21 · DrugSourced compound

External IDs · BioMoa

PubChem CID 44205240ChEMBLBioMoa · 프로그램 검색 · JAK / OlumiantBioMoa · 프로그램 검색 · JAK inhibitorBioMoa 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]