Details of the Drug

General Information of Drug (ID: DMPJ3YX)

• Drug Name: Tegavivint
• Synonyms: Tegatrabetan; 1227637-23-1; BC2059; Tegavivint; Tegavivint [INN]; BC-2059; 18AP231HUP; CHEMBL3601411; N-[3,6-bis[[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl]-10-nitrosoanthracen-9-yl]hydroxylamine; 9,10-Anthracenedione, 2,7-bis(((3R,5S)-3,5-dimethyl-1-piperidinyl)sulfonyl)-, 9,10-dioxime, rel-; TEGAVIVINT [WHO-DD]; UNII-18AP231HUP; SCHEMBL14947676; BDBM50108103; NSC785527; AKOS032946684; NSC-785527; BS-14778; HY-109103; CS-0039507; D71173; 2,7-bis(((3R,5S)-3,5-dimethylpiperidin-1-yl)sulfonyl)anthracene-9,10-dione dioxime; rel-2,7-Bis(((3R,5S)-3,5-dimethylpiperidin-1-yl)sulfonyl)anthracene-9,10-dione dioxime

Indication

Disease Entry	ICD 11	Status	REF
Desmoid tumour	2F7C	Phase 1	[1]

• Drug Type: Small molecule
• Chemical Identifiers:
  Formula: C28H36N4O6S2
  Canonical SMILES: CC1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)C(=C4C=CC(=CC4=C3N=O)S(=O)(=O)N5CC(CC(C5)C)C)NO)C
  InChI: InChI=1S/C28H36N4O6S2/c1-17-9-18(2)14-31(13-17)39(35,36)21-5-7-23-25(11-21)28(30-34)26-12-22(6-8-24(26)27(23)29-33)40(37,38)32-15-19(3)10-20(4)16-32/h5-8,11-12,17-20,29,33H,9-10,13-16H2,1-4H3/t17-,18+,19-,20+
  InChIKey: OMWCXCBGEFHCTN-FGYAAKKASA-N
• Cross-matching ID:
  PubChem CID: 46212391
  TTD ID: D54WUR

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Beta-catenin (CTNNB1)	TTRPKQG	CTNB1_HUMAN	Inhibitor	[2]
F-box-like/WD repeat-containing protein TBL1X (TBL1X)	TTAL6S1	TBL1X_HUMAN	Inhibitor	[2]

References

• [1] ClinicalTrials.gov (NCT03459469) Phase 1 Trial of BC2059 (Tegavivint) in Patients With Unresectable Desmoid Tumor. U.S.National Institutes of Health.
• [2] Tegavivint and the beta-Catenin/ALDH Axis in Chemotherapy-Resistant and Metastatic Osteosarcoma. J Natl Cancer Inst. 2019 Nov 1;111(11):1216-1227.