General
Preferred name
METHALLIBURE
Synonyms
Metallibure ()
ICI 33828 ()
ICI-33828 ()
ICI-33,828 ()
AY-61122 ()
AY 61122 ()
NSC-69536 ()
ICI 33,828 ()
P&D ID
PD163665
Tags
drug candidate
natural product
available
Drug indication
Anterior Pituitary Activator (for swine)
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
2
ChEMBL Drugs
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
12
Properties
(calculated by RDKit )
Molecular Weight
218.07
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
4
Rotatable Bonds
2
Ring Count
0
Aromatic Ring Count
0
cLogP
0.03
TPSA
48.12
Fraction CSP3
0.43
Chiral centers
1.0
Largest ring
0.0
QED
0.3
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
