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Ligand

NameCHEMBL20826
Molecular formulaC29H30ClN3O2
IUPAC name1-(4-benzyl-4-hydroxypiperidin-1-yl)-3-[2-(4-chlorophenyl)-1-methylpyrrolo[3,2-c]pyridin-3-yl]propan-1-one
Molecular weight488.028
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.6
Synonyms1-(4-Benzyl-4-hydroxy-piperidin-1-yl)-3-[2-(4-chloro-phenyl)-1-methyl-1H-pyrrolo[3,2-c]pyridin-3-yl]-propan-1-one
BDBM50099527
SCHEMBL7574961
1-(4-Hydroxy-4-benzylpiperidino)-3-[1-methyl-2-(4-chlorophenyl)-1H-pyrrolo[3,2-c]pyridine-3-yl]-1-propanone
Inchi KeyAMKINZCRNCDIPJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H30ClN3O2/c1-32-26-13-16-31-20-25(26)24(28(32)22-7-9-23(30)10-8-22)11-12-27(34)33-17-14-29(35,15-18-33)19-21-5-3-2-4-6-21/h2-10,13,16,20,35H,11-12,14-15,17-19H2,1H3
PubChem CID10228092
ChEMBLCHEMBL20826
IUPHARN/A
BindingDB50099527
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
8982Substance-P receptorP25103TACR1Homo sapiens (Human)407

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