Details of the Drug

General Information of Drug (ID: DM5782Z)

Drug Name

FM1-10

Synonyms

CHEMBL257643; 4-((E)-2-[4-(DIETHYLAMINO)PHENYL]ETHENYL)-1-[3-(TRIETHYLAMMONIO)PROPYL]PYRIDINIUM DIBROMIDE; AC1O6V5O; SCHEMBL1527145; AKOS000814322; ACM336185207; (E)-4-(4-(diethylamino)styryl)-1-(3-(triethylammonio)propyl)pyridinium bromide; 336185-20-7; 3-[4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]propyl-triethylazanium dibromide

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

2D MOL

#Ro5 Violations (Lipinski):
2

Molecular Weight

555.4

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

12

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

3

Chemical Identifiers

Formula: C26H41Br2N3
IUPAC Name: 3-[4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]propyl-triethylazanium;dibromide
Canonical SMILES: CCN(CC)C1=CC=C(C=C1)/C=C/C2=CC=[N+](C=C2)CCC[N+](CC)(CC)CC.[Br-].[Br-]
InChI: InChI=1S/C26H41N3.2BrH/c1-6-28(7-2)26-16-14-24(15-17-26)12-13-25-18-21-27(22-19-25)20-11-23-29(8-3,9-4)10-5;;/h12-19,21-22H,6-11,20,23H2,1-5H3;2*1H/q+2;;/p-2
InChIKey: HLNKJDYNEWLULB-UHFFFAOYSA-L

Cross-matching ID

PubChem CID: 6508730
TTD ID: D06IUC

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

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