Details of the Drug | DrugMAP

General Information of Drug (ID: DMNSH0V)

Drug Name	L-741604
Synonyms	L-741604; CHEMBL296161; SCHEMBL6943364; IGNXHSPBUUSUHB-UHFFFAOYSA-N; BDBM50060426; L010084; N,N-dimethyl-2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethylamine; Dimethyl-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-ethyl]-amine
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			255.32
	Logarithm of the Partition Coefficient (xlogp)			0.7
	Rotatable Bond Count (rotbonds)			4
	Hydrogen Bond Donor Count (hbonddonor)			1
	Hydrogen Bond Acceptor Count (hbondacc)			3
Chemical Identifiers	Formula C14H17N5 IUPAC Name N,N-dimethyl-2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethanamine Canonical SMILES CN(C)CCC1=CNC2=C1C=C(C=C2)N3C=NN=C3 InChI InChI=1S/C14H17N5/c1-18(2)6-5-11-8-15-14-4-3-12(7-13(11)14)19-9-16-17-10-19/h3-4,7-10,15H,5-6H2,1-2H3 InChIKey IGNXHSPBUUSUHB-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 9881526 TTD ID D00NLD

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 1D receptor (HTR1D)	TT6MSOK	5HT1D_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	3-(Piperazinylpropyl)indoles: selective, orally bioavailable h5-HT1D receptor agonists as potential antimigraine agents. J Med Chem. 1999 Feb 25;42(4):691-705.