General
Preferred name
KUKOAMINE A
Synonyms
N1,N2-bis(dihydrocaffeoyl)spermine ()
N1N12-bis(dihydrocaffeoyl)-spermine ()
P&D ID
PD088827
CAS
75288-96-9
Tags
available
drug candidate
Drug indication
Discovery agent
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()] ]]
Description
(extracted from source data)
DESCRIPTION
Kukoamine A is a natural occurring spermine derivative, acts as a potent inhibitor of trypanothione reductase (Ki, 1.8 ¦ÌM), with antihypertensive activity[1].
PRICE
280
DESCRIPTION
Kukoamine A possesses anticancer, cytoprotective, antioxidant, and anti-inflammatory activities, and inhibits trypanothione reductase as a mixed inhibitor (Ki = 1.8 microM).
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
5
Cayman Chemical Bioactives
DrugMAP
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
17
Molecular Weight
530.31
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
8
Rotatable Bonds
19
Ring Count
2
Aromatic Ring Count
2
cLogP
2.05
TPSA
163.18
Fraction CSP3
0.5
Chiral centers
0.0
Largest ring
6.0
QED
0.1
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
AP-1
LOX
NF-κB
Parasite
Pathway
Cell Cycle/Checkpoint
DNA Damage/DNA Repair
Metabolism
Microbiology/virology
Anti-infection
Source data
