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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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Ligand

NameCHEMBL2206375
Molecular formulaC13H16ClN3
IUPAC name4-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline
Molecular weight249.742
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP3.1
SynonymsBDBM106586
Ro-5073012
SCHEMBL19668494
SCHEMBL631165
US8586617, 28
Inchi KeyAOHLEOYTKMSKPD-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H16ClN3/c1-10(2)17(8-12-7-15-9-16-12)13-5-3-11(14)4-6-13/h3-7,9-10H,8H2,1-2H3,(H,15,16)
PubChem CID24947142
ChEMBLCHEMBL2206375
IUPHARN/A
BindingDB106586
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
10248Trace amine-associated receptor 1Q923Y9Taar1Rattus norvegicus (Rat)332
10249Trace amine-associated receptor 1Q96RJ0TAAR1Homo sapiens (Human)339
10250Trace amine-associated receptor 1Q923Y8Taar1Mus musculus (Mouse)332

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