General
Preferred name
ACTINONIN
Synonyms
2-[(Formyl-Hydroxy-Amino)-Methyl]-Heptanoic Acid [1-(2-Hydroxymethyl-Pyrrolidine-1-Carbonyl)-2-Methyl-Propyl]-Amide ()
(-)-Actinonin ()
Actinonin? ()
P&D ID
PD002826
CAS
13434-13-4
Tags
drug candidate
natural product
available
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()] ]]
Description
(extracted from source data)
DESCRIPTION
Leucine aminopeptidase inhibitor
(LOPAC library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
5
Organisms
2
Compound Sets
7
Cayman Chemical Bioactives
DrugBank
DrugMAP
LOPAC library
MedChem Express Bioactive Compound Library
Novartis Chemogenetic Library (NIBR MoA Box)
ZINC Tool Compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
23
Molecular Weight
385.26
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
4
Rotatable Bonds
11
Ring Count
1
Aromatic Ring Count
0
cLogP
1.2
TPSA
118.97
Fraction CSP3
0.84
Chiral centers
3.0
Largest ring
5.0
QED
0.24
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Selectivity
Leucine aminopeptidase
Member status
member
MOA
Mitochondrial Translation Inhibitors
Peptide Deformylase (PDF) Inhibitors
Membrane Alanine Aminopeptidase (Aminopeptidase N) Inhibitors
Pathway
Anti-infection
Apoptosis
Metabolic Enzyme/Protease
Target
Aminopeptidase
antibiotic
Bacterial
MMP
Source data
