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Ligand

NameCHEMBL561230
Molecular formulaC17H16Cl2N4O
IUPAC name3-chloro-4-[[6-chloro-4-[(1R)-1-cyclopropylethyl]-3-oxopyrazin-2-yl]amino]-5-methylbenzonitrile
Molecular weight363.242
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.6
SynonymsBDBM50293932
(R)-3-Chloro-4-[6-chloro-4-(1-cyclopropylethyl)-3-oxo-3,4-dihydropyrazin-2-ylamino]-5-methylbenzonitrile
Inchi KeyDCCURTWPGCWNFN-SNVBAGLBSA-N
Inchi IDInChI=1S/C17H16Cl2N4O/c1-9-5-11(7-20)6-13(18)15(9)22-16-17(24)23(8-14(19)21-16)10(2)12-3-4-12/h5-6,8,10,12H,3-4H2,1-2H3,(H,21,22)/t10-/m1/s1
PubChem CID44190827
ChEMBLCHEMBL561230
IUPHARN/A
BindingDB50293932
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
56222Corticotropin-releasing factor receptor 1P35353Crhr1Rattus norvegicus (Rat)415

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