General Information of Drug (ID: DMXT7WG)

Drug Name
Deguelin Drug Info
Synonyms
522-17-8; (-)-Deguelin; (-)-cis-deguelin; DEGUELIN(-); UNII-K5Z93K66IE; CHEBI:4357; K5Z93K66IE; MFCD01740600; C23H22O6; (7as,13as)-13,13a-dihydro-9,10-dimethoxy-3,3-dimethyl-3h-bis[1]benzopyrano[3,4-b:6',5'-e]pyran-7(7ah)-one; (7aS,13aS)-9,10-Dimethoxy-3,3-dimethyl-13,13a-dihydro-3H-pyrano[2,3-c:6,5-f']dichromen-7(7aH)-one; (7aS,13aS)-9,10-dimethoxy-3,3-dimethyl-13,13a-dihydro-3H-pyrano[2,3-c:6,5-f']dichromen-7(7aH)-one.; SR-01000597503; CCRIS 8104; Deguelin/; (-)-Deguelin, Mundulea sericea; Spectrum_001044; Tocris-1770; Spectrum2_000298; Spectrum3_001122; Spectrum4_001965; Spectrum5_001852; SCHEMBL73183; BSPBio_002583; KBioGR_002434; KBioSS_001524; SPECTRUM201138; MLS006010295; SPBio_000236; CHEMBL393417; KBio2_001524; KBio2_004092; KBio2_006660; KBio3_002083; DTXSID10200231; HMS1923A05; HMS3268E12; 3H-Bis(1)benzopyrano(3,4-b:6',5'-e)pyran-7(7aH)-one, 13,13a-dihydro-9,10-dimethoxy-3,3-dimethyl-, (7aS-cis)-; EX-A4158; ZINC3978987; 1702AH; ABP000411; BDBM50505204; CCG-39856; LMPK12060019; s8132; AKOS024456769; ACN-053693; BCP9000596; CS-1802; SDCCGMLS-0066380.P001; NCGC00025288-01; NCGC00025288-02; NCGC00025288-03; (-)-Deguelin, >98% (HPLC), powder; AS-56004; HY-13425; SMR004701363; C10417; Q5251862; SR-01000597503-1; SR-01000597503-3; SR-01000597503-4; BRD-K61401890-001-02-0; BRD-K61401890-001-03-8; BRD-K61401890-001-04-6; (1S,14S)-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-one; (7aS,13aS)-9,10-Dimethoxy-3,3-dimethyl-13,13a-dihydro-3H,7aH-pyrano[2,3-c;6,5-f']dichromen-7-one; 13,13aS-Dihydro-9,10-dimethoxy-3,3-dimethyl-3H-[1]benzopyrano[3,4-b]pyrano[2,3-h][1]benzopyran-7(7aS)-one; 3H-[1]Benzopyrano[3,4-b]pyrano[2,3-h][1]benzopyran-7(7aH)-one, 13,13a-dihydro-9,10-dimethoxy-3,3-dimethyl-, (7aS,13aS)-; 3H-Bis(1)benzopyrano(3,4-b:6',5'-e)pyran-7(7aH)-one, 13,13a-dihydro-9,10-dimethoxy-3,3-dimethyl-, (7aS,13aS)-
Indication
Disease Entry ICD 11 Status REF
Esophageal squamous cell carcinoma 2E60.1 Investigative [1]
Cross-matching ID
PubChem CID
107935
ChEBI ID
CHEBI:4357
CAS Number
CAS 522-17-8
TTD Drug ID
DMXT7WG

Molecule(s) Related to This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Aurora kinase B (AURKB) TT5LS6T AURKB_HUMAN Inhibitor [2]

The Expression Level of Molecule(s) in Normal Tissue of Major ADME-Related Organs

Molecule Molecule Type Gene Name Liver Colon Kidney Small Intestine
Aurora kinase B (AURKB) DTT AURKB 2.104 2.536 1.766 5.423
Molecule Expression Atlas in Normal Tissue of Major ADME-related organs

The Expression Level of Molecule(s) between Disease Section and Healthy Individual Tissue

The Studied Disease Esophageal squamous cell carcinoma
ICD Disease Classification 2E60.1
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Aurora kinase B (AURKB) DTT AURKB 3.52E-36 -0.82 -1.62
Molecular Expression Atlas between Disease Section and Healthy Individual Tissue

References

1 Deguelin, an Aurora B Kinase Inhibitor, Exhibits Potent Anti-Tumor Effect in Human Esophageal Squamous Cell Carcinoma. EBioMedicine. 2017 Dec;26:100-111.
2 An Electrophilic Deguelin Analogue Inhibits STAT3 Signaling in H- Ras-Transformed Human Mammary Epithelial Cells: The Cysteine 259 Residue as a Potential Target. Biomedicines. 2020 Oct 12;8(10):407.