General
Preferred name
FUSARIC ACID
Synonyms
5-Butyl-2-pyridinedicarboxylic acid ()
5-Butylpicolinic Acid ()
P&D ID
PD002714
CAS
536-69-6
Tags
natural product
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Dopamine beta-hydroxylase inhibitor; antibiotic isolated from the fungus Fusarium heterosporium (LOPAC library)
Compound Sets
5
Cayman Chemical Bioactives
17876
LOPAC library
MedChem Express Bioactive Compound Library
HY-128483
NPC Screening Collection
Pandemic Response Box
External IDs
27
Properties
(calculated by RDKit )
Molecular Weight
179.09
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
4
Ring Count
1
Aromatic Ring Count
1
cLogP
2.12
TPSA
50.19
Fraction CSP3
0.4
Chiral centers
0.0
Largest ring
6.0
QED
0.77
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Selectivity
Dopamine beta-hydroxylase
Pathway
Metabolic Enzyme/Protease
Target
Dopamine β-hydroxylase
Source data