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Ligand

NameCHEMBL574852
Molecular formulaC18H21ClF2N4O3
IUPAC name5-chloro-1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(difluoromethoxy)-2,5-dimethylpyridin-3-yl]amino]pyrazin-2-one
Molecular weight414.838
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.3
Synonyms(S)-5-chloro-1-(1-cyclopropyl-2-methoxyethyl)-3-(6-(difluoromethoxy)-2,5-dimethylpyridin-3-ylamino)pyrazin-2(1H)-one
BMS-763534
BMS-763534, >=98% (HPLC)
SCHEMBL1559440
BDBM50300145
Inchi KeyCBVDPVDNACOCTI-CYBMUJFWSA-N
Inchi IDInChI=1S/C18H21ClF2N4O3/c1-9-6-12(10(2)22-16(9)28-18(20)21)23-15-17(26)25(7-14(19)24-15)13(8-27-3)11-4-5-11/h6-7,11,13,18H,4-5,8H2,1-3H3,(H,23,24)/t13-/m1/s1
PubChem CID44596589
ChEMBLCHEMBL574852
IUPHARN/A
BindingDB50300145
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
38237Corticotropin-releasing factor receptor 1P35353Crhr1Rattus norvegicus (Rat)415

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