PF-152   Click here for help

GtoPdb Ligand ID: 9014

Synonyms: compound 43a [1] | example 64 [WO2009016498] [2] | PF152
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: PF-152 is a matrix metalloproteinase-13 (MMP13) inhibitor [1], with potential to treat osteoarthritis.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 146.4
Molecular weight 473.18
XLogP 0.44
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES OCC1COC(CO1)Cn1nnc(n1)c1nc(C)nc(c1)C(=O)NCc1ccc(c(c1)OC)F
Isomeric SMILES OC[C@@H]1CO[C@H](CO1)Cn1nnc(n1)c1nc(C)nc(c1)C(=O)NCc1ccc(c(c1)OC)F
InChI InChI=1S/C21H24FN7O5/c1-12-24-17(20-26-28-29(27-20)8-14-10-34-15(9-30)11-33-14)6-18(25-12)21(31)23-7-13-3-4-16(22)19(5-13)32-2/h3-6,14-15,30H,7-11H2,1-2H3,(H,23,31)/t14-,15+/m0/s1
InChI Key SKEAGJWUKCNICJ-LSDHHAIUSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[(4-fluoro-3-methoxyphenyl)methyl]-6-[2-[[(2S,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-2-methylpyrimidine-4-carboxamide
Synonyms Click here for help
compound 43a [1] | example 64 [WO2009016498] [2] | PF152
Database Links Click here for help
GtoPdb PubChem SID 310264792
PubChem CID 25183622
Search Google for chemical match using the InChIKey SKEAGJWUKCNICJ-LSDHHAIUSA-N
Search Google for chemicals with the same backbone SKEAGJWUKCNICJ
Search UniChem for chemical match using the InChIKey SKEAGJWUKCNICJ-LSDHHAIUSA-N
Search UniChem for chemicals with the same backbone SKEAGJWUKCNICJ