General
Preferred name
PD006657
Synonyms
8-anilinonaphthalene-1-sulfonic acid ()
1-anilinonaphthalene-8-sulfonic acid ()
ANS (ammonium) ()
NSC 1746 (ammonium) ()
Peri acid, phenyl- (ammonium) ()
Phenyl peri acid (ammonium) ()
1,8-ANS ()
P&D ID
PD006657
CAS
82-76-8
54784-66-6
223752-16-7
28836-03-5
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
8
Cayman Chemical Bioactives
DrugBank
DrugMAP
EU-OPENSCREEN Bioactive Compound Library
IPPI - DB
LSP-MoA library (Laboratory of Systems Pharmacology)
MedChem Express Bioactive Compound Library
ZINC Tool Compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
53
Properties
(calculated by RDKit )
Molecular Weight
299.06
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
3
Ring Count
3
Aromatic Ring Count
3
cLogP
3.83
TPSA
66.4
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.72
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Anti-infection
Target
Bacterial
Source data
