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Ligand

NameCHEMBL394112
Molecular formulaC28H28ClN5
IUPAC name7-(2-chloro-4,6-dimethylphenyl)-4-methyl-3-[(2-phenylpyrrolidin-1-yl)methyl]-2,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene
Molecular weight470.017
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP6.9
SynonymsSCHEMBL14446675
BDBM50203622
8-(2-chloro-4,6-dimethyl-phenyl)-2-methyl-3-(2-phenyl-pyrrolidin-1-ylmethyl)-8H-1,3a,7,8-tetraaza-cyclopenta[a]indene
Inchi KeyAYPRBDIXIJJDIB-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H28ClN5/c1-18-15-19(2)26(22(29)16-18)34-27-24(11-7-13-30-27)33-25(20(3)31-28(33)34)17-32-14-8-12-23(32)21-9-5-4-6-10-21/h4-7,9-11,13,15-16,23H,8,12,14,17H2,1-3H3
PubChem CID20780049
ChEMBLCHEMBL394112
IUPHARN/A
BindingDB50203622
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
17669Corticotropin-releasing factor receptor 1P34998CRHR1Homo sapiens (Human)444

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