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]
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
ChEBI ID
CHEMBL101690
CAS Number
182563-08-2
TTD ID
D09GHO
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
Molecular Interaction Atlas (MIA) 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.