General
Preferred name
ERTIPROTAFIB
Synonyms
PTP 112 ()
PTP112 ()
PTP-112 ()
P&D ID
PD077523
CAS
251303-04-5
Tags
available
drug candidate
Drug indication
Type-2 diabetes
Drug Status
investigational
Max Phase
2.0
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Ertiprotafib is an inhibitor of PTP1B, IkB kinase ¦Â (IKK-¦Â), and a dual PPAR¦Á and PPAR¦Â agonist, with an IC50 of 1.6 ¦ÌM for PTP1B, 400 nM for IKK-¦Â, an EC50 of ~1 ¦ÌM for PPAR¦Á/PPAR¦Â.
PRICE 372
DESCRIPTION Ertiprotafib (PTP 112), a selective and potent inhibitor of protein tyrosine phosphate 1B (PTP1B) and IkappaB kinase ?? (IKK-??), is a novel insulin sensitizer with potential anticancer activity for the study of type 2 diabetes and breast cancer.
DESCRIPTION Ertiprotafib is an inhibitor of protein tyrosine phosphatase 1B (PTP1B), IkB kinase β (IKK-β), and a dual agonist of PPARα and PPARβ, with IC50s of 1.6 μM and 400 nM for PTP1B and IKK-β, and EC50s of ~1 μM for PPARα/PPARβ. It is potentially useful for the treatment of non-insulin dependent diabetes. (BOC Sciences Bioactive Compounds)
DESCRIPTION Ertiprotafib (PTP 112), a selective and potent inhibitor of protein tyrosine phosphate 1B (PTP1B) and IkappaB kinase β (IKK-β), is a novel insulin sensitizer with potential anticancer activity for the study of type 2 diabetes and breast cancer. (TargetMol Bioactive Compound Library)
Compound Sets
7
BOC Sciences Bioactive Compounds
ertiprotafib-cas-251303-04-5-item-470909
ChEMBL Drugs
CHEMBL184041
DrugBank
DB06521
DrugMAP
DMJXEV7
MedChem Express Bioactive Compound Library
HY-19383
ReFrame library
TargetMol Bioactive Compound Library
T15243
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
558.09
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
6
Ring Count
5
Aromatic Ring Count
5
cLogP
8.79
TPSA
46.53
Fraction CSP3
0.19
Chiral centers
1.0
Largest ring
6.0
QED
0.23
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
PTP1B
IKKβ
IKK
phosphatase
PPAR
Pathway
Cell Cycle/DNA Damage
Metabolic Enzyme/Protease
NF-κB
Vitamin D Related/Nuclear Receptor
Metabolism
NF-¦ÊB
Solubility
Soluble in DMSO, not in water
Source data