General
Preferred name
ECHOTHIOPHATE
Synonyms
ECHOTHIOPHATE IODIDE ()
echothiophate iodide, Makindus ()
Ecothiophate iodide ()
Echothiophate (iodide) ()
Echothiophate ion ()
Echothiophate cation ()
Ecothiopate ()
Ecothiopate cation ()
217-MI ()
Ioduro de ecotiopato ()
Iodure d'ecothiopate ()
Ecothiopate Iodide ()
Echodide ()
Phospholine Iodide ()
P&D ID
PD009574
CAS
6736-03-4
513-10-0
Tags
available
covalent binder
drug
Approved by
FDA
First approval
1960
Drug indication
glaucoma
Chronic glaucoma
Drug Status
approved
Max Phase
4.0
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
TOXICITY Side effects include blurred vision or change in near or distant vision and eye pain.; LD50: 174 mcg/kg in rats. (MSDS)
DESCRIPTION Echothiophate is the parent molecule of the irreversible cholinesterase inhibitor echothiophate iodide (PubChem CID 10547). (GtoPdb)
DESCRIPTION Ecothiophate iodide is a potent, long-acting cholinesterase inhibitor. It covalently binds by its phosphate group to serine group at the active site of the cholinesterase. It binds irreversibly to cholinesterase. It is used as an ocular antihypertensive in the treatment of chronic glaucoma and accommodative esotropia in some cases. It is also an anticholinesterase drug and used as a miotic. It has been listed. (BOC Sciences Bioactive Compounds)
Compound Sets
15
BOC Sciences Bioactive Compounds
ecothiophate-iodide-cas-513-10-0-item-120877
Cayman Chemical Bioactives
24029
ChEMBL Approved Drugs
CHEMBL1201341
CHEMBL1200367
ChEMBL Drugs
CHEMBL1201341
CHEMBL1200367
CovBinderInPDB
CBR001028
CBR001040
CBR006230
DrugBank
DB01057
DrugBank Approved Drugs
DB01057
DrugCentral
982
DrugCentral Approved Drugs
982
DrugMAP
DMSNVGB
DrugMAP Approved Drugs
DMSNVGB
DrugMatrix
Guide to Pharmacology
9074
NCATS Inxight Approved Drugs
0F350BVT6S
ReFrame library
External IDs
50
Properties
(calculated by RDKit )
Molecular Weight
256.11
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
0
Rotatable Bonds
8
Ring Count
0
Aromatic Ring Count
0
cLogP
2.61
TPSA
35.53
Fraction CSP3
1.0
Chiral centers
0.0
Largest ring
0.0
QED
0.49
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Therapeutic Class
Parasympathomimetics
Solubility
Soluble in DMSO (Slightly), Methanol (Slightly), Water (Slightly)
Source data