General
Preferred name
DIQUAFOSOL
Synonyms
Diquas ()
DIQUAFOSOL TETRASODIUM ()
INS-365 ()
Dicuafosol ()
DIQUAFOSOL TETRASODIUM SALT ()
DIQUAFOSOL SODIUM ()
INS365 ()
INS 365 ()
DE-089 ()
KPY-998 ()
Diquafosol (sodium salt) ()
P&D ID
PD050276
CAS
59985-21-6
211427-08-6
Tags
available
drug candidate
drug
Approved by
PMDA
First approval
2010
Drug indication
Dry eye disease
Drug Status
experimental
approved
investigational
Max Phase
3.0
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 The USAN specifies the tetrasodium salt formulation. (GtoPdb)
Compound Sets
16
Cayman Chemical Bioactives
33971
ChEMBL Drugs
CHEMBL221326
CHEMBL1767408
Concise Guide to Pharmacology 2017/18
1736
Concise Guide to Pharmacology 2019/20
1736
Concise Guide to Pharmacology 2021/22
1736
Concise Guide to Pharmacology 2023/24
1736
Drug Repurposing Hub
DrugBank
DB15919
DrugCentral
4900
DrugCentral Approved Drugs
4900
DrugMAP
DM64QG9
EU-OPENSCREEN Bioactive Compound Library
EOS100741
EUbOPEN Chemogenomics Library
EUB0000922
Guide to Pharmacology
1736
Natural product-based probes and drugs
Selleckchem Bioactive Compound Library
diquafosol-tetrasodium
External IDs
56
Properties
(calculated by RDKit )
Molecular Weight
789.99
Hydrogen Bond Acceptors
21
Hydrogen Bond Donors
10
Rotatable Bonds
14
Ring Count
4
Aromatic Ring Count
2
cLogP
-4.19
TPSA
404.45
Fraction CSP3
0.56
Chiral centers
12.0
Largest ring
6.0
QED
0.08
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
MOA
purinergic receptor activator
Biosynthetic Origin
Nucleoside
Therapeutic Indication
Dry Eye Syndrome
Target
P2 Receptor
Recommended Cell Concentration
None
Source data