Details of the Drug

General Information of Drug (ID: DM3MSZN)

Drug Name
5,N-Dihydroxythalidomide
Synonyms
5,N-Dihydroxythalidomide; 5,1'-Dihydroxythalidomide; 5,1'-Dihydroxy thalidomide; 5,1'-Dihydroxy thalidomide, (+/-)-; CHEMBL479546; 1H-Isoindole-1,3(2H)-dione, 5-hydroxy-2-(1-hydroxy-2,6-dioxo-3-piperidinyl)-; 478785-12-5
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 290.23
Logarithm of the Partition Coefficient (xlogp) -0.5
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C13H10N2O6
IUPAC Name
5-hydroxy-2-(1-hydroxy-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Canonical SMILES
C1CC(=O)N(C(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)O)O
InChI
InChI=1S/C13H10N2O6/c16-6-1-2-7-8(5-6)12(19)14(11(7)18)9-3-4-10(17)15(21)13(9)20/h1-2,5,9,16,21H,3-4H2
InChIKey
RLBGOICZNMULCW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10356851
CAS Number
478785-12-5
TTD ID
D09GQF

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Progesterone receptor (PGR) TTUV8G9 PRGR_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Progesterone receptor (PGR) DTT PGR 3.26E-38 -3.79 -2.5
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Progesterone receptor antagonists with a 3-phenylquinazoline-2,4-dione/2-phenylisoquinoline-1,3-dione skeleton. Bioorg Med Chem. 2008 Jul 15;16(14):7046-54.