General
Preferred name
TRITOQUALINE
Synonyms
MCI-5011 ()
Hypostamin ()
Livalfa ()
Tritocaline ()
Inhibostamin ()
Hypostamine ()
L-554 ()
P&D ID
PD072232
CAS
14504-73-5
Tags
natural product
drug
available
Drug Status
approved
Max Phase
4.0
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
7
ChEMBL Approved Drugs
ChEMBL Drugs
DrugBank
DrugBank Approved Drugs
DrugCentral
DrugCentral Approved Drugs
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
18
Properties
(calculated by RDKit )
Molecular Weight
500.22
Hydrogen Bond Acceptors
10
Hydrogen Bond Donors
1
Rotatable Bonds
8
Ring Count
5
Aromatic Ring Count
2
cLogP
3.64
TPSA
110.94
Fraction CSP3
0.5
Chiral centers
2.0
Largest ring
6.0
QED
0.43
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
