R121919   Click here for help

GtoPdb Ligand ID: 3520

Synonyms: R 121919 | R-121919
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 49.56
Molecular weight 380.27
XLogP 5.51
No. Lipinski's rules broken 1
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Canonical SMILES CCCN(c1cc(C)nc2n1nc(c2c1cnc(cc1C)N(C)C)C)CCC
Isomeric SMILES CCCN(c1cc(C)nc2n1nc(c2c1cnc(cc1C)N(C)C)C)CCC
InChI InChI=1S/C22H32N6/c1-8-10-27(11-9-2)20-13-16(4)24-22-21(17(5)25-28(20)22)18-14-23-19(26(6)7)12-15(18)3/h12-14H,8-11H2,1-7H3
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 5x10-9 – 1x10-9 M) [1]
Ligand mentioned in the following text fields