General
Preferred name
EPE
Synonyms
ETOPOSIDE ()
Toposar ()
VePesid ()
VP-16 ()
Epipodophyllotoxin VP-16213 ()
DEMETHY-EPIPODOPHYLLOTOXIN,ETHYLIDENE GLUCOSIDE, ()
4-Demethylepipodophyllotoxin-.beta.-D-ethylideneglucoside ()
4'-Demethylepipodophyllotoxin ethylidene-.beta.-D-glucoside ()
Epipodophyllotoxin, 4'-demethyl-, 9-(4,6-O-ethylidene-.beta.-D-glucopyranoside) ()
P&D ID
PD004097
CAS
33419-42-0
Tags
natural product
drug
Drug Status
approved
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 ]]
Compound Sets
1
NIH Approved Oncology Drugs
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
9
Properties
(calculated by RDKit )
Molecular Weight
588.18
Hydrogen Bond Acceptors
13
Hydrogen Bond Donors
3
Rotatable Bonds
5
Ring Count
7
Aromatic Ring Count
2
cLogP
1.34
TPSA
160.83
Fraction CSP3
0.55
Chiral centers
10.0
Largest ring
6.0
QED
0.43
Structural alerts
1
Genotoxic
Nuisance compounds in cellular assays
Related compounds
Custom attributes
(extracted from source data)
Source data
