Details of the Drug

General Information of Drug (ID: DM4JZ9A)

Drug Name
GNF-PF-1694
Synonyms GNF-PF-1694; CHEMBL513104; Oprea1_332906; Oprea1_089499; BDBM50274012
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) 313.4
Logarithm of the Partition Coefficient (xlogp) 4.1
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C19H23NO3
IUPAC Name
1-(tert-butylamino)-3-dibenzofuran-1-yloxypropan-2-ol
Canonical SMILES
CC(C)(C)NCC(COC1=CC=CC2=C1C3=CC=CC=C3O2)O
InChI
InChI=1S/C19H23NO3/c1-19(2,3)20-11-13(21)12-22-16-9-6-10-17-18(16)14-7-4-5-8-15(14)23-17/h4-10,13,20-21H,11-12H2,1-3H3
InChIKey
HGDYQUMVUUMEFM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
23968266
ChEBI ID
CHEMBL513104
TTD ID
D0C6CZ
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adrenergic receptor beta-2 (ADRB2) TT2CJVK ADRB2_HUMAN Inhibitor [1]
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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
Adrenergic receptor beta-2 (ADRB2) DTT ADRB2 4.88E-01 -0.05 -0.12
Adrenergic receptor beta-2 (ADRB2) DTT ADRB2 7.10E-01 0.06 0.09
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References

1 Use of the X-ray structure of the beta2-adrenergic receptor for drug discovery. Part 2: Identification of active compounds. Bioorg Med Chem Lett. 2008 Oct 15;18(20):5391-5.