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Ligand

NameCHEMBL197187
Molecular formulaC21H22ClFN4
IUPAC name(10S)-3-(2-chloro-4-fluorophenyl)-9-(cyclopropylmethyl)-10-ethyl-6-methyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
Molecular weight384.883
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.9
SynonymsN/A
Inchi KeyARYJCXXWKBMCHJ-HNNXBMFYSA-N
Inchi IDInChI=1S/C21H22ClFN4/c1-3-15-11-27-21-18(26(15)10-13-4-5-13)8-12(2)24-20(21)19(25-27)16-7-6-14(23)9-17(16)22/h6-9,13,15H,3-5,10-11H2,1-2H3/t15-/m0/s1
PubChem CID11625175
ChEMBLCHEMBL197187
IUPHARN/A
BindingDBN/A
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
12894Corticotropin-releasing factor receptor 1P34998CRHR1Homo sapiens (Human)444

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