Details of the Drug

General Information of Drug (ID: DMSE3WP)

Drug Name
PF-06260414
Synonyms PF-14
Indication
Disease Entry ICD 11 Status REF
Cachexia MG20 Discontinued in Phase 1 [1]
Pain MG30-MG3Z Investigative [2]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 302.35
Logarithm of the Partition Coefficient (xlogp) 1.6
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C14H14N4O2S
IUPAC Name
6-[(4R)-4-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl]isoquinoline-1-carbonitrile
Canonical SMILES
C[C@@H]1CNS(=O)(=O)N(C1)C2=CC3=C(C=C2)C(=NC=C3)C#N
InChI
InChI=1S/C14H14N4O2S/c1-10-8-17-21(19,20)18(9-10)12-2-3-13-11(6-12)4-5-16-14(13)7-15/h2-6,10,17H,8-9H2,1H3/t10-/m1/s1
InChIKey
ZKAVFOXYJCREBQ-SNVBAGLBSA-N
Cross-matching ID
PubChem CID
76071881
CAS Number
1612755-71-1
UNII
3I487UHH95
DrugBank ID
DB15221
TTD ID
D0S7UU
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
Androgen receptor (AR) TTS64P2 ANDR_HUMAN Modulator [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Cachexia
ICD Disease Classification MG20
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Androgen receptor (AR) DTT AR 2.13E-01 -0.07 -0.11
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800040072)
2 The ChEMBL database in 2017. Nucleic Acids Res. 2017 Jan 4;45(D1):D945-D954.
3 Phase I clinical trail of PF-06260414 for treating cachexia. Pfizer Inc.