General
Preferred name
DARBUFELONE
Synonyms
CI-1004 mesylate ()
CI-1004 ()
Darbufelone (mesylate) ()
CI-1004 (mesylate) ()
Darbufelone mesilate ()
DARBUFELONE MESYLATE ()
Darbufelona ()
P&D ID
PD070652
CAS
139340-56-0
139226-28-1
Tags
available
drug candidate
Drug indication
Asthma
Drug Status
experimental
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 Darbufelone mesylate (CI-1004 mesylate) is a dual inhibitor of cellular PGF2¦Á and LTB4 production. Darbufelone potently inhibits PGHS-2 (IC50 = 0.19 ¦ÌM) but is much less potent with PGHS-1 (IC50= 20 ¦ÌM).
PRICE 230
DESCRIPTION Darbufelone mesylate (CI-1004 mesylate) inhibited PGF2?? and LTB4 in cells and demonstrated IC50 values of 0.19 ??M for PGHS-2 and 20 ??M for PGHS-1.
DESCRIPTION Darbufelone is a dual inhibitor of cellular PGF2¦Á and LTB4 production. Darbufelone potently inhibits PGHS-2 (IC50= 0.19 ¦ÌM) but is much less potent with PGHS-1 (IC50=20 ¦ÌM).
PRICE 96
DESCRIPTION Darbufelone (CI-1004) is a non-competitive dual inhibitor of PGF2?? and LTB4. Dabfilon effectively inhibits PGHS-2 with a Ki of 10 ??M and IC50s of 0.19 ??M and 20 ??M for PGHS-2 and PGHS-1.
DESCRIPTION Darbufelone (CI-1004) is a non-competitive dual inhibitor of PGF2α and LTB4. Dabfilon effectively inhibits PGHS-2 with a Ki of 10 μM and IC50s of 0.19 μM and 20 μM for PGHS-2 and PGHS-1. (TargetMol Bioactive Compound Library)
Cell lines
1
Organisms
0
Compound Sets
6
ChEMBL Drugs
CHEMBL109745
CHEMBL275835
DrugBank
DB20173
DrugMAP
DMYVKM5
MedChem Express Bioactive Compound Library
HY-101438A
HY-101438
ReFrame library
TargetMol Bioactive Compound Library
T10960
External IDs
41
Properties
(calculated by RDKit )
Molecular Weight
332.16
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
2
Aromatic Ring Count
1
cLogP
3.92
TPSA
75.68
Fraction CSP3
0.44
Chiral centers
0.0
Largest ring
6.0
QED
0.76
QED
0.76
Structural alerts
1
ene_five_het_B(90)
[#6]-1(=[#6])-[#6](-[#7]=[#6]-[#16]-1)=[#8]
PAINS Family B
Related compounds
Custom attributes
(extracted from source data)
Target
PGF2α
LTB4
Leukotriene Receptor
Prostaglandin Receptor
Pathway
GPCR/G protein
Immunology/Inflammation
Source data