Details of the Drug

General Information of Drug (ID: DMT1CZ0)

Drug Name
OL-135
Synonyms
OL-135; 681135-77-3; CHEMBL177577; 7-phenyl-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one; ILOIOIGZFHGSMS-UHFFFAOYSA-N; SCHEMBL1471932; GTPL5235; BDBM23120; ORL 135; OL135; ZINC3949004; KB-79672; 7-phenyl-1-(5-(pyridin-2-yl)oxazol-2-yl)heptan-1-one
Indication
Disease Entry ICD 11 Status REF
Pain MG30-MG3Z Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 334.4
Logarithm of the Partition Coefficient (xlogp) 4.9
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C21H22N2O2
IUPAC Name
7-phenyl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one
Canonical SMILES
C1=CC=C(C=C1)CCCCCCC(=O)C2=NC=C(O2)C3=CC=CC=N3
InChI
InChI=1S/C21H22N2O2/c24-19(14-7-2-1-4-10-17-11-5-3-6-12-17)21-23-16-20(25-21)18-13-8-9-15-22-18/h3,5-6,8-9,11-13,15-16H,1-2,4,7,10,14H2
InChIKey
ILOIOIGZFHGSMS-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10427006
ChEBI ID
CHEMBL177577
TTD ID
D09GVB
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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 [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Pain
ICD Disease Classification MG30-MG3Z
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 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5235).
2 X-ray crystallographic analysis of alpha-ketoheterocycle inhibitors bound to a humanized variant of fatty acid amide hydrolase. J Med Chem. 2010 Jan 14;53(1):230-40.