A-71378   

GtoPdb Ligand ID: 894

Synonyms: A 71378 | A71378
2D Structure
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SMILES / InChI / InChIKey
Canonical SMILES CCCCC(C(=O)NC(=O)c1ccccc1CC(NC(=O)C(CC(=O)O)NC)C)NC(=O)N(C(=O)CNC(=O)C(NC(=O)CCc1ccc(cc1)OS(=O)(=O)O)CCCC)Cc1c[nH]c2c1cccc2
Isomeric SMILES CCCC[C@@H](C(=O)NC(=O)c1ccccc1C[C@H](NC(=O)[C@H](CC(=O)O)NC)C)NC(=O)N(C(=O)CNC(=O)[C@@H](NC(=O)CCc1ccc(cc1)OS(=O)(=O)O)CCCC)Cc1c[nH]c2c1cccc2
InChI InChI=1S/C48H62N8O13S/c1-5-7-16-38(53-41(57)24-21-31-19-22-34(23-20-31)69-70(66,67)68)45(62)51-28-42(58)56(29-33-27-50-37-18-12-11-14-35(33)37)48(65)54-39(17-8-6-2)46(63)55-44(61)36-15-10-9-13-32(36)25-30(3)52-47(64)40(49-4)26-43(59)60/h9-15,18-20,22-23,27,30,38-40,49-50H,5-8,16-17,21,24-26,28-29H2,1-4H3,(H,51,62)(H,52,64)(H,53,57)(H,54,65)(H,59,60)(H,55,61,63)(H,66,67,68)/t30-,38+,39+,40+/m1/s1
InChI Key DLOJBPLQFCFYKX-QQYYTUMTSA-N
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
CCK2 receptor Hs Agonist Full agonist 6.5 pIC50 - 1
pIC50 6.5 [1]