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Details

Stereochemistry ACHIRAL
Molecular Formula C21H20F3N7O3S
Molecular Weight 507.489
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PF-562271

SMILES

CN(C1=NC=CC=C1CNC2=C(C=NC(NC3=CC=C4NC(=O)CC4=C3)=N2)C(F)(F)F)S(C)(=O)=O

InChI

InChIKey=MZDKLVOWGIOKTN-UHFFFAOYSA-N
InChI=1S/C21H20F3N7O3S/c1-31(35(2,33)34)19-12(4-3-7-25-19)10-26-18-15(21(22,23)24)11-27-20(30-18)28-14-5-6-16-13(8-14)9-17(32)29-16/h3-8,11H,9-10H2,1-2H3,(H,29,32)(H2,26,27,28,30)

HIDE SMILES / InChI

Molecular Formula C21H20F3N7O3S
Molecular Weight 507.489
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: Q05397
Gene ID: 5747.0
Gene Symbol: PTK2
Target Organism: Homo sapiens (Human)
1.5 nM [IC50]
PubMed

PubMed

TitleDatePubMed
Antitumor activity and pharmacology of a selective focal adhesion kinase inhibitor, PF-562,271.
2008 Mar 15
Dual focal adhesion kinase/Pyk2 inhibitor has positive effects on bone tumors: implications for bone metastases.
2008 May 15
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:52:58 GMT 2023
Edited
by admin
on Fri Dec 15 15:52:58 GMT 2023
Record UNII
K5BX8ZA7UF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PF-562271
Code English
PF-562,271
Code English
PF-00562271 FREE BASE
Common Name English
PF-562271 [WHO-SDG]
Common Name English
PF-562271 FREE BASE
Common Name English
Code System Code Type Description
FDA UNII
K5BX8ZA7UF
Created by admin on Fri Dec 15 15:52:58 GMT 2023 , Edited by admin on Fri Dec 15 15:52:58 GMT 2023
PRIMARY
PUBCHEM
11713159
Created by admin on Fri Dec 15 15:52:58 GMT 2023 , Edited by admin on Fri Dec 15 15:52:58 GMT 2023
PRIMARY
EPA CompTox
DTXSID10471000
Created by admin on Fri Dec 15 15:52:58 GMT 2023 , Edited by admin on Fri Dec 15 15:52:58 GMT 2023
PRIMARY
CAS
717907-75-0
Created by admin on Fri Dec 15 15:52:58 GMT 2023 , Edited by admin on Fri Dec 15 15:52:58 GMT 2023
PRIMARY
ChEMBL
CHEMBL1084546
Created by admin on Fri Dec 15 15:52:58 GMT 2023 , Edited by admin on Fri Dec 15 15:52:58 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY