General
Preferred name
WHI-P97
Synonyms
KIN001-055 ()
WHI-P97, AC1L1GQE ()
WHI-P97 HCl ()
P&D ID
PD013031
CAS
211555-05-4
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
PRICE 66
PRICE 116
DESCRIPTION WHI-P97 is a potent, cell-permeable and specific inhibitor of JAK3 (IC50 = 11 μM). It inhibits JAK3 in immune complex kinase assays in a dose-dependent fashion and reduces the invasiveness of EGFR positive human cancer cells in a dose-dependent manner. (BOC Sciences Bioactive Compounds)
DESCRIPTION WHI-P97 is a potent and selective JAK-3 inhibitor, Ki= 0.6μM. (Enamine Bioactive Compounds)
DESCRIPTION WHI-P97 is a rationally designed potent inhibitor of JAK-3. IC50 value: Target: JAK3 Treatment of mast cells with WHI-P97 inhibited the translocation of 5-lipoxygenase (5-LO) from the nucleoplasm to the nuclear membrane and consequently 5-LO-dependent leukotriene (LT) synthesis after IgE receptor/FcepsilonRI crosslinking by >90% at low micromolar concentrations. WHI-P97 did not directly inhibit the enzymatic activity of 5-LO, but prevented its translocation to the nuclear membrane without affecting the requisite calcium signal. (TargetMol Bioactive Compound Library)
DESCRIPTION WHI-P97 HCl is a potent and selective JAK-3 inhibitor. WHI-P97 had an estimated Ki value of 0.09 microM from modeling studies and a measured IC50 value of 2.5 microM in EGFR kinase inhibition assays. WHI-P97 effectively inhibited the in vitro invasiveness of EGFR-positive human cancer cells in a concentration-dependent manner. (TargetMol Bioactive Compound Library)
Cell lines
1
Organisms
0
Compound Sets
10
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
CZ-OPENSCREEN Bioactive Library
Enamine Bioactive Compounds
EU-OPENSCREEN Bioactive Compound Library
LINCS compound set
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
Welcome Trust Cancer Drugs
External IDs
21
Properties
(calculated by RDKit )
Molecular Weight
452.93
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
2
Rotatable Bonds
4
Ring Count
3
Aromatic Ring Count
3
cLogP
4.62
TPSA
76.5
Fraction CSP3
0.12
Chiral centers
0.0
Largest ring
6.0
QED
0.56
QED
0.56
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
JAK3, MNK1
JAK3
JAK
Pathway
Angiogenesis/Chromatin/Epigenetic/Chromatin/Epigenetic/Stem Cells
Epigenetics
JAK/STAT Signaling
Protein Tyrosine Kinase/RTK
Stem Cell/Wnt
Angiogenesis
Chromatin/Epigenetic
Stem Cells
Tyrosine Kinase/Adaptors
Source data