Details of the Drug

General Information of Drug (ID: DMPEZKT)

Drug Name
PF-04957325
Synonyms GTPL9659; SCHEMBL17545207; ZINC165851270; AKOS032945026; CS-6185; HY-15426
Indication
Disease Entry ICD 11 Status REF
Inflammation 1A00-CA43.1 Investigative [1]
Itching 1F28-1G07 Investigative [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 400.38
Logarithm of the Partition Coefficient (xlogp) 0.5
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 12
Chemical Identifiers
Formula
C14H15F3N8OS
IUPAC Name
3-[[(2R)-4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine
Canonical SMILES
C1CO[C@H](CN1CC2=NC=CS2)CN3C4=NC(=NC(=C4N=N3)N)C(F)(F)F
InChI
InChI=1S/C14H15F3N8OS/c15-14(16,17)13-20-11(18)10-12(21-13)25(23-22-10)6-8-5-24(2-3-26-8)7-9-19-1-4-27-9/h1,4,8H,2-3,5-7H2,(H2,18,20,21)/t8-/m1/s1
InChIKey
VNLPYEMGHGDRRZ-MRVPVSSYSA-N
Cross-matching ID
PubChem CID
52938379
ChEBI ID
CHEMBL5169811
TTD ID
D04TZA
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Phosphodiesterase 8 (PDE8) TTIS4OW PDE8A_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Differential Expression and Function of PDE8 and PDE4 in Effector T cells: Implications for PDE8 as a Drug Target in Inflammation.Front Pharmacol. 2016 Aug 23;7:259.