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Ligand

NameCHEMBL245506
Molecular formulaC23H28ClN5O2
IUPAC nameN-[[7-(2-chloro-4,6-dimethylphenyl)-4-methyl-2,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-3-yl]methyl]-1,3-dimethoxypropan-2-amine
Molecular weight441.96
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.2
SynonymsBDBM50203595
SCHEMBL5395279
[8-(2-chloro-4,6-dimethyl-phenyl)-2-methyl-8H-1,3a,7,8-tetraaza-cyclopenta[a]inden-3-ylmethyl]-(2-methoxy-1-methoxymethyl-ethyl)-amine
Inchi KeyAKBFVFJQOIVWMW-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H28ClN5O2/c1-14-9-15(2)21(18(24)10-14)29-22-19(7-6-8-25-22)28-20(16(3)27-23(28)29)11-26-17(12-30-4)13-31-5/h6-10,17,26H,11-13H2,1-5H3
PubChem CID21916237
ChEMBLCHEMBL245506
IUPHARN/A
BindingDB50203595
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
7398Corticotropin-releasing factor receptor 1P34998CRHR1Homo sapiens (Human)444

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