General
Preferred name
Bufylline
Synonyms
AMBUPHYLLINE ()
Butaphyllamine ()
P&D ID
PD122321
CAS
5634-34-4
Tags
drug candidate
natural product
available
Drug indication
Diuretic
Relaxant (smooth muscle)
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 ]]
Compound Sets
2
ChEMBL Drugs
DrugBank
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
10
Properties
(calculated by RDKit )
Molecular Weight
269.15
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
3
Rotatable Bonds
1
Ring Count
2
Aromatic Ring Count
2
cLogP
-1.32
TPSA
118.93
Fraction CSP3
0.55
Chiral centers
0.0
Largest ring
6.0
QED
0.59
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
