L-740093   Click here for help

GtoPdb Ligand ID: 881

Synonyms: L 740093 | L-740,093 | L740093
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 77.04
Molecular weight 445.25
XLogP 4.49
No. Lipinski's rules broken 0
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Canonical SMILES Cc1cccc(c1)NC(=O)NC1N=C(N2CC3CCC(C2)CC3)c2c(N(C1=O)C)cccc2
Isomeric SMILES Cc1cccc(c1)NC(=O)N[C@@H]1N=C(N2CC3CCC(C2)CC3)c2c(N(C1=O)C)cccc2
InChI InChI=1S/C26H31N5O2/c1-17-6-5-7-20(14-17)27-26(33)29-23-25(32)30(2)22-9-4-3-8-21(22)24(28-23)31-15-18-10-11-19(16-31)13-12-18/h3-9,14,18-19,23H,10-13,15-16H2,1-2H3,(H2,27,29,33)/t18?,19?,23-/m0/s1
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
CCK1 receptor Rn Antagonist Antagonist 5.8 pKi - 2
pKi 5.8 [2]
CCK2 receptor Hs Antagonist Antagonist 9.2 pIC50 - 1
pIC50 9.2 (IC50 6.3x10-10 M) [1]