General
Preferred name
Pentosan Polysulfate
Synonyms
P&D ID
PD009848
CAS
11096-31-4
37300-21-3
Tags
drug
Drug indication
Interstitial cystitis
Painful bladder syndrome
Drug Status
approved
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
5
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
15
Properties
(calculated by RDKit )
Molecular Weight
601.92
Hydrogen Bond Acceptors
17
Hydrogen Bond Donors
6
Rotatable Bonds
10
Ring Count
2
Aromatic Ring Count
0
cLogP
-4.81
TPSA
322.55
Fraction CSP3
1.0
Chiral centers
8.0
Largest ring
6.0
QED
0.13
QED
0.13
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Member status
member
MOA
Heparin binding site inhibitor
Therapeutic Class
Anticoagulants
Source data
