General
Preferred name
MITRAPHYLLINE
Synonyms
Isopteropodine ()
Isomitraphylline ()
P&D ID
PD029154
CAS
509-80-8
5629-60-7
4697-68-1
5171-37-9
4963-01-3
Tags
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
2
Organisms
0
Compound Sets
4
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
84
Properties
(calculated by RDKit )
Molecular Weight
368.17
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
1
Rotatable Bonds
1
Ring Count
5
Aromatic Ring Count
1
cLogP
2.06
TPSA
67.87
Fraction CSP3
0.52
Chiral centers
5.0
Largest ring
6.0
QED
0.77
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
IL Receptor
NF-??b
TNF
GPCR/G protein
Neuronal Signaling
NF-κB
Target
NF-??B
TNF-??
5-HT Receptor
mAChR
Source data
