General
Preferred name
ROCAGLAMIDE
Synonyms
Rocaglamide A ()
Roc-A ()
Rocaglamide? ()
P&D ID
PD017128
CAS
84573-16-0
117894-34-5
Tags
drug candidate
natural product
available
Drug indication
Discovery agent
Drug Status
experimental
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
7
Cayman Chemical Bioactives
DrugBank
DrugMAP
Mcule NIBR MoA Box Subset
MedChem Express Bioactive Compound Library
Novartis Chemogenetic Library (NIBR MoA Box)
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
23
Properties
(calculated by RDKit )
Molecular Weight
505.21
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
2
Rotatable Bonds
6
Ring Count
5
Aromatic Ring Count
3
cLogP
3.05
TPSA
97.69
Fraction CSP3
0.34
Chiral centers
5.0
Largest ring
6.0
QED
0.53
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
NF-¦ÊB
Eukaryotic Initiation Factor (eIF)
HSP
eIF,HSP (HSP90),NF-¦ÊB
Member status
virtual
MOA
Elongation factor inhibitor
Pathway
Cell Cycle/DNA Damage
Metabolic Enzyme/Protease
NF-κB
Source data
