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Ligand

NameCHEMBL104692
Molecular formulaC20H21N5O3
IUPAC nameN-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-4-nitrobenzamide
Molecular weight379.42
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.6
Synonyms5-(N-[4-nitrobenzoyl]amino)-3-(1-methylpiperidin-4-yl)pyrrolo[3,2-b]pyridine
N-[3-(1-Methyl-piperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-4-nitro-benzamide
SCHEMBL7007206
BDBM50130451
JAYOKUDGYAUIEC-UHFFFAOYSA-N
Inchi KeyJAYOKUDGYAUIEC-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H21N5O3/c1-24-10-8-13(9-11-24)16-12-21-17-6-7-18(22-19(16)17)23-20(26)14-2-4-15(5-3-14)25(27)28/h2-7,12-13,21H,8-11H2,1H3,(H,22,23,26)
PubChem CID10872581
ChEMBLCHEMBL104692
IUPHARN/A
BindingDB50130451
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1464365-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
1464385-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
1464395-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
1464375-hydroxytryptamine receptor 1FP30939HTR1FHomo sapiens (Human)366

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