CP 376,395   Click here for help

GtoPdb Ligand ID: 3496

Synonyms: compound 3a [PMID: 18288792] | CP 376395 | CP-376,395 | CP-376395 | CP376395
PDB Ligand
Compound class: Synthetic organic
Comment: CP 376,395 (CP-376395) is an orally active, selective CRF1 receptor antagonist [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 34.15
Molecular weight 326.24
XLogP 5.65
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CCC(Nc1cc(C)nc(c1C)Oc1c(C)cc(cc1C)C)CC
Isomeric SMILES CCC(Nc1cc(C)nc(c1C)Oc1c(C)cc(cc1C)C)CC
InChI InChI=1S/C21H30N2O/c1-8-18(9-2)23-19-12-16(6)22-21(17(19)7)24-20-14(4)10-13(3)11-15(20)5/h10-12,18H,8-9H2,1-7H3,(H,22,23)
InChI Key VIZBSVDBNLAVAW-UHFFFAOYSA-N
References
1. Chen YL, Obach RS, Braselton J, Corman ML, Forman J, Freeman J, Gallaschun RJ, Mansbach R, Schmidt AW, Sprouse JS et al.. (2008)
2-aryloxy-4-alkylaminopyridines: discovery of novel corticotropin-releasing factor 1 antagonists.
J. Med. Chem., 51 (5): 1385-92. [PMID:18288792]