Details of the Drug

General Information of Drug (ID: DM9BY8D)

Drug Name
1-Oxazolo[4,5-b]pyridin-2-yl-octadec-9-yn-1-one
Synonyms
1-oxazolo[4,5-b]pyridin-2-yl-9-octadecyn-1-one; 288862-89-5; CHEMBL175580; 1-Oxazolo[4,5-b]pyridin-2-yl-octadec-9-yn-1-one; SCHEMBL1811297; CTK8E3290; DTXSID50433602; HMS3649E20; BDBM50163152; ZINC34803574; ACM288862895; RT-006406; SR-01000946605; SR-01000946605-1; J-017317
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): 2 Molecular Weight (mw) 382.5
Logarithm of the Partition Coefficient (xlogp) 8.3
Rotatable Bond Count (rotbonds) 14
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C24H34N2O2
IUPAC Name
1-([1,3]oxazolo[4,5-b]pyridin-2-yl)octadec-9-yn-1-one
Canonical SMILES
CCCCCCCCC#CCCCCCCCC(=O)C1=NC2=C(O1)C=CC=N2
InChI
InChI=1S/C24H34N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(27)24-26-23-22(28-24)19-17-20-25-23/h17,19-20H,2-8,11-16,18H2,1H3
InChIKey
DBMKKVSGBYKSFI-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9977214
CAS Number
288862-89-5
TTD ID
D0B0KP

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Fatty acid amide hydrolase (FAAH) TTDP1UC NOUNIPROTAC 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
Fatty acid amide hydrolase (FAAH) DTT NO-GeName 2.65E-01 0.02 0.1
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Discovery of a potent, selective, and efficacious class of reversible alpha-ketoheterocycle inhibitors of fatty acid amide hydrolase effective as a... J Med Chem. 2005 Mar 24;48(6):1849-56.