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Ligand

NameCHEMBL394538
Molecular formulaC18H22N4O5
IUPAC name(2R)-5-(diaminomethylideneamino)-2-[[5-(3-methoxyphenyl)furan-2-carbonyl]amino]pentanoic acid
Molecular weight374.397
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP1.0
SynonymsBDBM50422990
Inchi KeyNLTNSAPSWHBRGB-CYBMUJFWSA-N
Inchi IDInChI=1S/C18H22N4O5/c1-26-12-5-2-4-11(10-12)14-7-8-15(27-14)16(23)22-13(17(24)25)6-3-9-21-18(19)20/h2,4-5,7-8,10,13H,3,6,9H2,1H3,(H,22,23)(H,24,25)(H4,19,20,21)/t13-/m1/s1
PubChem CID44426459
ChEMBLCHEMBL394538
IUPHARN/A
BindingDB50422990
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
226514C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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