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]
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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

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]

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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.