carprofen   Click here for help

GtoPdb Ligand ID: 7141

Synonyms: Ro-205720000
Approved drug Immunopharmacology Ligand
carprofen is an approved drug
Compound class: Synthetic organic
Comment: Carprofen is a non-steroidal anti-inflammatory drug (NSAID), although it is no longer marketed for human use and now seems to be used exclusively by vets.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 53.09
Molecular weight 273.06
XLogP 3.79
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C(c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C
Isomeric SMILES OC(=O)C(c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C
InChI InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)
InChI Key PUXBGTOOZJQSKH-UHFFFAOYSA-N
References
1. Hieke M, Ness J, Steri R, Greiner C, Werz O, Schubert-Zsilavecz M, Weggen S, Zettl H. (2011)
SAR studies of acidic dual γ-secretase/PPARγ modulators.
Bioorg. Med. Chem., 19 (18): 5372-82. [PMID:21873070]