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Ligand

NameCHEMBL228582
Molecular formulaC18H21ClN4O4
IUPAC name(2R)-2-[[5-(5-chloro-2-methylphenyl)furan-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight392.84
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP2.0
SynonymsBDBM50423004
Inchi KeyAGBGPYUVINQNMB-CYBMUJFWSA-N
Inchi IDInChI=1S/C18H21ClN4O4/c1-10-4-5-11(19)9-12(10)14-6-7-15(27-14)16(24)23-13(17(25)26)3-2-8-22-18(20)21/h4-7,9,13H,2-3,8H2,1H3,(H,23,24)(H,25,26)(H4,20,21,22)/t13-/m1/s1
PubChem CID44426465
ChEMBLCHEMBL228582
IUPHARN/A
BindingDB50423004
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
4721C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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