Details of the Drug

General Information of Drug (ID: DM7OJ5Q)

Drug Name
PMID22607879CR-(-)-5f
Synonyms GTPL5834
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 518.4
Logarithm of the Partition Coefficient (xlogp) 5
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C27H24BrN3O3
IUPAC Name
(2R)-N-(4-bromophenyl)-2-[5-[(3-methoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]-2-phenylacetamide
Canonical SMILES
CC1=NN(C(=O)C(=C1)CC2=CC(=CC=C2)OC)[C@H](C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)Br
InChI
InChI=1S/C27H24BrN3O3/c1-18-15-21(16-19-7-6-10-24(17-19)34-2)27(33)31(30-18)25(20-8-4-3-5-9-20)26(32)29-23-13-11-22(28)12-14-23/h3-15,17,25H,16H2,1-2H3,(H,29,32)/t25-/m1/s1
InChIKey
SPUZCVBKJUVZSD-RUZDIDTESA-N
Cross-matching ID
PubChem CID
73755161
TTD ID
D01EOQ
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
FMLP-related receptor I (FPR2) TTOJ1NF FPR2_HUMAN Agonist [1]
N-formyl peptide receptor (FPR1) TT5Y4EM FPR1_HUMAN Agonist [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Synthesis, enantioresolution, and activity profile of chiral 6-methyl-2,4-disubstituted pyridazin-3(2H)-ones as potent N-formyl peptide receptor agonists. Bioorg Med Chem. 2012 Jun 15;20(12):3781-92.