Details of the Drug

General Information of Drug (ID: DM9XUYM)

Drug Name
2,2-dimethylbenzopyran derivative 2
Synonyms PMID26882240-Compound-11
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 368.4
Logarithm of the Partition Coefficient (xlogp) 4
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C22H24O5
IUPAC Name
2-(3,4-dimethoxyphenyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)ethanone
Canonical SMILES
CC1(C=CC2=C(O1)C=CC(=C2OC)C(=O)CC3=CC(=C(C=C3)OC)OC)C
InChI
InChI=1S/C22H24O5/c1-22(2)11-10-16-18(27-22)9-7-15(21(16)26-5)17(23)12-14-6-8-19(24-3)20(13-14)25-4/h6-11,13H,12H2,1-5H3
InChIKey
TZRPLTHVBYHDBJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
71453910
ChEBI ID
CHEMBL2177146
TTD ID
D00GOM
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Hypoxia-inducible factor 1 (HIF-1) TTUX68I NOUNIPROTAC Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Hypoxia-inducible factor (HIF) inhibitors: a patent survey (2011-2015).Expert Opin Ther Pat. 2016;26(3):309-22.