General
Preferred name
Aurantiamide
Synonyms
TMC-58B ()
P&D ID
PD158590
CAS
58115-31-4
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)
DESCRIPTION Aurantiamide is a non-covalent, orally active, blood-brain-permeable GRPR selective antagonist with anti-inflammatory and neuroprotective effects. Aurantiamide reduces inflammation and oxidative stress in renal tissue by inhibiting GRPR-mediated renal necrosis pathways (such as RIPK3/MLKL signaling) and NF-¦ÊB inflammatory pathways, exerting anti-acute kidney injury and endothelial function activities. Aurantiamide also inhibits the M1 polarization of microglia and inhibits NLRP3 activation, thereby improving AD mouse models. Aurantiamide has in vivo inhibitory efficacy in acute kidney injury models such as ischemia/reperfusion, sepsis, and hypertension models[1][2][3][4][5].
PRICE 449
DESCRIPTION Aurantiamide has anti-cancer, anti-inflammatory and antinociceptive activities, it may suppress the growth of malignant gliomas by blocking autophagic flux.Aurantiamide has an anti-neuroinflammatory effect on LPS stimulation through its inhibition of the NF-??B, JNK and p38 pathways.
DESCRIPTION Aurantiamide has anti-cancer, anti-inflammatory and antinociceptive activities, it may suppress the growth of malignant gliomas by blocking autophagic flux.Aurantiamide has an anti-neuroinflammatory effect on LPS stimulation through its inhibition of the NF-κB, JNK and p38 pathways. (TargetMol Bioactive Compound Library)
Cell lines
1
Organisms
0
Compound Sets
2
MedChem Express Bioactive Compound Library
HY-N2909
TargetMol Bioactive Compound Library
T5814
External IDs
17
Properties
(calculated by RDKit )
Molecular Weight
402.19
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
3
Rotatable Bonds
9
Ring Count
3
Aromatic Ring Count
3
cLogP
2.75
TPSA
78.43
Fraction CSP3
0.2
Chiral centers
2.0
Largest ring
6.0
QED
0.52
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
NF-κB
p38
Mixed lineage kinase
RIP Kinase
Pathway
Apoptosis
MAPK/ERK Pathway
MAPK
NF-¦ÊB
Source data