Details of the Drug

General Information of Drug (ID: DM0J7UR)

• Drug Name: MEDI9197
• Synonyms: RRTPWQXEERTRRK-UHFFFAOYSA-N; UNII-16598XQ2BT; 16598XQ2BT; 1359993-59-1; N-(4-((4-Amino-2-butyl-1H-imidazo(4,5-C)quinolin-1-yl)oxy)butyl)octadecanamide; N-(4-{[4-amino-2-butyl-1H-imidazo[4,5-c]quinolin-1-yl]oxy}butyl)octadecanamide; SCHEMBL671176; MEDI-9197; AKOS032946368; Octadecanamide, N-(4-((4-amino-2-butyl-1H-imidazo(4,5-C)quinolin-1-yl)oxy)butyl)-

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Phase 1	[1]

• #Ro5 Violations (Lipinski): 3:
  Molecular Weight (mw); 593.9
  Logarithm of the Partition Coefficient (xlogp); 11.9
  Rotatable Bond Count (rotbonds); 25
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C36H59N5O2
  IUPAC Name: N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]octadecanamide
  Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)NCCCCON1C(=NC2=C1C3=CC=CC=C3N=C2N)CCCC
  InChI: InChI=1S/C36H59N5O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-27-33(42)38-28-22-23-29-43-41-32(26-6-4-2)40-34-35(41)30-24-20-21-25-31(30)39-36(34)37/h20-21,24-25H,3-19,22-23,26-29H2,1-2H3,(H2,37,39)(H,38,42)
  InChIKey: RRTPWQXEERTRRK-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 56833311
  CAS Number: 1359993-59-1
  TTD ID: D0L8HB

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Toll-like receptor 7 (TLR7)	TTRJ1K4	TLR7_HUMAN	Agonist	[1]
Toll-like receptor 8 (TLR8)	TT8CWFK	TLR8_HUMAN	Agonist	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Solid tumour/cancer
• ICD Disease Classification: 2A00-2F9Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Toll-like receptor 7 (TLR7)	DTT	TLR7	3.32E-25	0.44	0.88

References

• [1] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)