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Ligand

NameCHEMBL390834
Molecular formulaC17H19ClN4O3S
IUPAC name(2R)-2-[[5-(3-chlorophenyl)thiophene-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight394.874
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP2.3
SynonymsBDBM50423005
Inchi KeyINPIVQNIIMYXCG-GFCCVEGCSA-N
Inchi IDInChI=1S/C17H19ClN4O3S/c18-11-4-1-3-10(9-11)13-6-7-14(26-13)15(23)22-12(16(24)25)5-2-8-21-17(19)20/h1,3-4,6-7,9,12H,2,5,8H2,(H,22,23)(H,24,25)(H4,19,20,21)/t12-/m1/s1
PubChem CID44426475
ChEMBLCHEMBL390834
IUPHARN/A
BindingDB50423005
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
137496C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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