Details of the Drug

General Information of Drug (ID: DM43O9N)

Drug Name

LY-334370

Synonyms

LY334370; LY-334370; 182563-08-2; UNII-5Q7I1WL2UY; 5Q7I1WL2UY; LY 334370; CHEMBL101690; LY-334,370; 4-fluoro-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide; 4-Fluoro-N-[3-(1-methyl-piperidin-4-yl)-1H-indol-5-yl]-benzamide; 4-Fluoro-N-(3-(1-methylpiperidin-4-yl)-1H-indol-5-yl)benzamide; AC1NSKBH; GTPL20; GTPL151; SCHEMBL6911508; DTXSID40415518; ZINC1488294; BCP29131; BDBM50130461; NCGC00378776-02; [3H]LY334370; HY-103107; CS-0025021; L000364; 4-fluoro-N-[3-(1-methyl-4-piperidinyl)-1h-indol-5-yl]-benzamide

Indication

Disease Entry	ICD 11	Status	REF
Migraine	8A80	Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

351.4

Logarithm of the Partition Coefficient (xlogp)

3.6

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C21H22FN3O
IUPAC Name: 4-fluoro-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide
Canonical SMILES: CN1CCC(CC1)C2=CNC3=C2C=C(C=C3)NC(=O)C4=CC=C(C=C4)F
InChI: InChI=1S/C21H22FN3O/c1-25-10-8-14(9-11-25)19-13-23-20-7-6-17(12-18(19)20)24-21(26)15-2-4-16(22)5-3-15/h2-7,12-14,23H,8-11H2,1H3,(H,24,26)
InChIKey: MDMJLMDBRQXOOI-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 5311258
CAS Number: 182563-08-2
TTD ID: D09GHO

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 1F receptor (HTR1F)	TT0MI3F	5HT1F_HUMAN	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 20).
2	Selective seratonin 1F (5-HT(1F)) receptor agonist LY334370 for acute migraine: a randomised controlled trial. Lancet. 2001 Oct 13;358(9289):1230-4.