General
Preferred name
Aurantiamide
Synonyms
TMC-58B ()
P&D ID
PD158590
CAS
58115-31-4
Tags
natural product
available
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
1
Organisms
0
Compound Sets
2
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
16
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
Related compounds
Custom attributes
(extracted from source data)
Pathway
NF-??b
MAPK
Target
NF-??B
p38
Source data
