Details of the Drug

General Information of Drug (ID: DM2DT6L)

Drug Name
BB 0223767
Synonyms 2-Hydroxy-5-(5-pyrimidinyl)benzaldehyde; 893737-59-2; 2-hydroxy-5-(pyrimidin-5-yl)benzaldehyde; SCHEMBL6639266; CHEMBL3639592; BDBM111246; ZINC16947735; AKOS004118729; BB 0223767; US8614253, 43-6
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 200.19
Logarithm of the Partition Coefficient (xlogp) 1.5
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C11H8N2O2
IUPAC Name
2-hydroxy-5-pyrimidin-5-ylbenzaldehyde
Canonical SMILES
C1=CC(=C(C=C1C2=CN=CN=C2)C=O)O
InChI
InChI=1S/C11H8N2O2/c14-6-9-3-8(1-2-11(9)15)10-4-12-7-13-5-10/h1-7,15H
InChIKey
HPQAHGRGPPOWML-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
20100145
TTD ID
D0VP7R

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Endoplasmic reticulum to nucleus signaling 1 (ERN1) TTOJ9QL ERN1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 IRE-1 inhibitors. US8614253.