PF3

(2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]-THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID


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Chemical Component Summary

Name(2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]-THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID
SynonymsPF-00356231; 3-PHENYL-3-({[4-(4-PYRIDIN-4-YLPHENYL)THIEN-2-YL]CARBONYL}AMINO)PROPANOIC ACID
Identifiers(3R)-3-phenyl-3-[[4-(4-pyridin-4-ylphenyl)thiophen-2-yl]carbonylamino]propanoic acid
FormulaC25 H20 N2 O3 S
Molecular Weight428.503
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)[C@@H](CC(=O)O)NC(=O)c2cc(cs2)c3ccc(cc3)c4ccncc4
InChIInChI=1S/C25H20N2O3S/c28-24(29)15-22(20-4-2-1-3-5-20)27-25(30)23-14-21(16-31-23)18-8-6-17(7-9-18)19-10-12-26-13-11-19/h1-14,16,22H,15H2,(H,27,30)(H,28,29)/t22-/m1/s1
InChIKeyVMTJQZUZINLEKC-JOCHJYFZSA-N

Chemical Details

Formal Charge0
Atom Count51
Chiral Atom Count1
Bond Count54
Aromatic Bond Count25

Drug Info: DrugBank

DrugBank IDDB03367 
NamePF-00356231
Groups experimental
Synonyms
  • (3R)-3-Phenyl-3-[({4-[4-(4-pyridinyl)phenyl]-2-thienyl}carbonyl)amino]propanoic acid
  • PF-00356231
  • 3-phenyl-3-({[4-(4-pyridin-4-ylphenyl)thien-2-yl]carbonyl}amino)propanoic acid
CAS number766536-21-4

Drug Targets

NameTarget SequencePharmacological ActionActions
Macrophage metalloelastaseMKFLLILLLQATASGALPLNSSTSLEKNNVLFGERYLEKFYGLEINKLPV...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL508461
PubChem 448942
ChEMBL CHEMBL508461