General
Preferred name
ISOTETRANDRINE
Synonyms
1-isotetrandrine ()
(r,s)-tetrandrine ()
NSC-97338 ()
Isosinomenine a ()
Isosinomenin a ()
O-methylberbamine ()
O,o'-dimethylstepholine ()
O,o'-dimethylobamegine ()
P&D ID
PD011263
CAS
477-57-6
Tags
available
drug candidate
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
ChEMBL Drugs
NIH Mechanistic Set
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
16
Properties
(calculated by RDKit )
Molecular Weight
622.3
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
0
Rotatable Bonds
4
Ring Count
8
Aromatic Ring Count
4
cLogP
7.16
TPSA
61.86
Fraction CSP3
0.37
Chiral centers
2.0
Largest ring
18.0
QED
0.24
Structural alerts
1
Nonspecific/NOS
IMP
Nuisance compounds
Related compounds
Custom attributes
(extracted from source data)
Source data
