General
Preferred name
PMX-53
Synonyms
3D53 ()
PMX 53 acetate(219639-75-5 free base) ()
PMX53 ()
PMX-53 (trifluoroacetate salt) ()
P&D ID
PD047338
CAS
219639-75-5
852629-88-0
514814-99-4
Tags
available
drug candidate
Drug indication
Atopic dermatitis
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 PMX53 is a C5aR antagonist . (GtoPdb)
DESCRIPTION PMX-53 is a potent and orally active CD88 (C5aR) antagonist (IC50: 20 nM) and inhibits C5a-induced neutrophil myeloperoxidase release and chemotaxis with IC50 values of 22 nM and 75 nM, respectively. PMX-53 is also an agonist of Mas-related gene 2 (MrgX2). (TargetMol Bioactive Compound Library)
Cell lines
1
Organisms
1
Compound Sets
8
Cayman Chemical Bioactives
35840
DrugMAP
DMZUAJ4
Guide to Pharmacology
579
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL41547
MedChem Express Bioactive Compound Library
HY-106178
Novartis Chemogenetic Library (NIBR MoA Box)
Selleckchem Bioactive Compound Library
pmx-53
TargetMol Bioactive Compound Library
TP2334
External IDs
25
Properties
(calculated by RDKit )
Molecular Weight
895.51
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
9
Rotatable Bonds
13
Ring Count
6
Aromatic Ring Count
3
cLogP
1.32
TPSA
275.1
Fraction CSP3
0.53
Chiral centers
6.0
Largest ring
18.0
QED
0.07
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Immunology/Inflammation
Member status
member
MOA
C5a Antagonists
Target
Complement System
CD markers,Immunology & Inflammation related
complement 5a receptor (C5aR)
Source data