Details of the Drug

General Information of Drug (ID: DMW6UA3)

• Drug Name: SR-46559A
• Synonyms: 6-[2-(Diethylamino)-2-methylpropylamino]-3-phenyl-4-propylpyridazine sesquifumarate

Indication

Disease Entry	ICD 11	Status	REF
Cognitive impairment	6D71	Phase 2	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 4:
  Molecular Weight; 1029.2
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 24
  Hydrogen Bond Donor Count; 8
  Hydrogen Bond Acceptor Count; 20
• Chemical Identifiers:
  Formula: C54H76N8O12
  IUPAC Name: but-2-enedioic acid;2-N,2-N-diethyl-2-methyl-1-N-(6-phenyl-5-propylpyridazin-3-yl)propane-1,2-diamine
  Canonical SMILES: CCCC1=CC(=NN=C1C2=CC=CC=C2)NCC(C)(C)N(CC)CC.CCCC1=CC(=NN=C1C2=CC=CC=C2)NCC(C)(C)N(CC)CC.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O
  InChI: InChI=1S/2C21H32N4.3C4H4O4/c2*1-6-12-18-15-19(22-16-21(4,5)25(7-2)8-3)23-24-20(18)17-13-10-9-11-14-17;3*5-3(6)1-2-4(7)8/h2*9-11,13-15H,6-8,12,16H2,1-5H3,(H,22,23);3*1-2H,(H,5,6)(H,7,8)
  InChIKey: AEOGOPZZLSQJKM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 57348184
  CAS Number: 137733-33-6
  TTD ID: D0L5WA

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Muscarinic acetylcholine receptor M1 (CHRM1)	TTZ9SOR	ACM1_HUMAN	Agonist	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Cognitive impairment
• ICD Disease Classification: 6D71

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Muscarinic acetylcholine receptor M1 (CHRM1)	DTT	CHRM1	5.59E-01	0.19	0.41

References

• [1] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800001599)
• [2] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015