Details of the Drug

General Information of Drug (ID: DMAP8VY)

• Drug Name: FM1-43
• Synonyms: 149838-22-2; UNII-83IGZ86I9D; 83IGZ86I9D; CHEBI:52077; N-(3-(triethylammonium)propyl)-4-(4-(dibutylamino)styryl)pyridinium; Fm1 43; CHEMBL257431; FM 1-43; SynaptoGreen& C4; FM 1-43 dye; AC1O6V5E; SCHEMBL1527120; N-(3-(triethylammonium)propyl)-4-(2-(4-dibutylaminophenyl)vinyl)pyridinium; AKOS000814323; SynaptoGreen(TM) C4, > =95% (HPLC), solid; n-(3-triethylammoniumpropyl)-4-(4-(dibutylamino)styryl)pyridinium dibromide; 4-[2-[4-(dibutylamino)phenyl]ethenyl]-1-[3-(triethylammonio)propyl]-pyridiniumbromide

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight; 611.5
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 16
  Hydrogen Bond Donor Count; 0
  Hydrogen Bond Acceptor Count; 3
• Chemical Identifiers:
  Formula: C30H49Br2N3
  IUPAC Name: 3-[4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]propyl-triethylazanium;dibromide
  Canonical SMILES: CCCCN(CCCC)C1=CC=C(C=C1)/C=C/C2=CC=[N+](C=C2)CCC[N+](CC)(CC)CC.[Br-].[Br-]
  InChI: InChI=1S/C30H49N3.2BrH/c1-6-11-23-32(24-12-7-2)30-18-16-28(17-19-30)14-15-29-20-25-31(26-21-29)22-13-27-33(8-3,9-4)10-5;;/h14-21,25-26H,6-13,22-24,27H2,1-5H3;2*1H/q+2;;/p-2
  InChIKey: VZUVCAGXYLMFEC-UHFFFAOYSA-L
• Cross-matching ID:
  PubChem CID: 6508724
  ChEBI ID: CHEMBL257431
  CAS Number: 149838-22-2
  TTD ID: D0AR0H
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

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	Inhibitor	[1]
Muscarinic acetylcholine receptor M2 (CHRM2)	TTYEG6Q	ACM2_HUMAN	Inhibitor	[1]
Muscarinic acetylcholine receptor M3 (CHRM3)	TTQ13Z5	ACM3_HUMAN	Inhibitor	[1]
Muscarinic acetylcholine receptor M4 (CHRM4)	TTQ3JTF	ACM4_HUMAN	Inhibitor	[1]
Muscarinic acetylcholine receptor M5 (CHRM5)	TTH18TF	ACM5_HUMAN	Inhibitor	[1]

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
Muscarinic acetylcholine receptor M1 (CHRM1)	DTT	CHRM1	5.59E-01	0.19	0.41
Muscarinic acetylcholine receptor M2 (CHRM2)	DTT	CHRM2	5.59E-01	0.19	0.41

References

• [1] Design and synthesis of a fluorescent muscarinic antagonist. Bioorg Med Chem Lett. 2008 Jan 15;18(2):825-7.