Details of the Drug

General Information of Drug (ID: DMD74BJ)

• Drug Name: PF-05089771
• Synonyms: Nav1.7 blockers (pain), Pfizer; SCN9A blockers (pain), Pfizer/Icagen/Birkbeck; Voltage-gated sodium channel 1.7 blockers (pain), Pfizer

Indication

Disease Entry	ICD 11	Status	REF
Chronic pain	MG30	Phase 2	[1]

• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 500.4
  Logarithm of the Partition Coefficient (xlogp); 4.3
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 9
• Chemical Identifiers:
  Formula: C18H12Cl2FN5O3S2
  IUPAC Name: 4-[2-(5-amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
  Canonical SMILES: C1=CC(=C(C=C1Cl)C2=C(NN=C2)N)OC3=CC(=C(C=C3Cl)S(=O)(=O)NC4=CSC=N4)F
  InChI: InChI=1S/C18H12Cl2FN5O3S2/c19-9-1-2-14(10(3-9)11-6-24-25-18(11)22)29-15-5-13(21)16(4-12(15)20)31(27,28)26-17-7-30-8-23-17/h1-8,26H,(H3,22,24,25)
  InChIKey: ZYSCOUXLBXGGIM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 46840946
  CAS Number: 1235403-62-9
  DrugBank ID: DB14856
  TTD ID: D0O7QA
  VARIDT ID: DR01027

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Voltage-gated sodium channel alpha Nav1.7 (SCN9A)	TT4G2JS	SCN9A_HUMAN	Blocker	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Chronic pain
• ICD Disease Classification: MG30

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Voltage-gated sodium channel alpha Nav1.7 (SCN9A)	DTT	SCN9A	1.42E-03	-0.12	-0.36

References

• [1] ClinicalTrials.gov (NCT01529346) Efficacy Of PF-05089771 In Treating Postoperative Dental Pain. U.S. National Institutes of Health.
• [2] Primary erythromelalgia: a review. Orphanet J Rare Dis. 2015 Sep 30;10:127.