antalarmin   Click here for help

GtoPdb Ligand ID: 3489

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 33.43
Molecular weight 378.28
XLogP 6.81
No. Lipinski's rules broken 1
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Canonical SMILES CCCCN(c1nc(C)nc2c1c(C)c(n2c1c(C)cc(cc1C)C)C)CC
Isomeric SMILES CCCCN(c1nc(C)nc2c1c(C)c(n2c1c(C)cc(cc1C)C)C)CC
InChI InChI=1S/C24H34N4/c1-9-11-12-27(10-2)23-21-18(6)19(7)28(24(21)26-20(8)25-23)22-16(4)13-15(3)14-17(22)5/h13-14H,9-12H2,1-8H3
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
CRF1 receptor Hs Antagonist Antagonist 8.3 – 9.0 pKi - 1
pKi 8.3 – 9.0 (Ki 5.01x10-9 – 1x10-9 M) [1]
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