General
Preferred name
METHYLENE BLUE
Synonyms
METHYLENE BLUE CHLORIDE HYDRATE ()
Basic Blue 9 ()
Methylthionine chloride ()
Methylene Blue trihydrate ()
NSC-759135 ()
Urolene Blue ()
Basic blue 9 trihydrate ()
CI 52015 ()
C.i. basic blue 9 ()
Methylene blue trihydrate ()
Trx-0014 ()
Lowacryl blue 9 ()
Chlorure de methylthioninium ()
METHYLENE BLUE ANHYDROUS ()
CI-52015 ()
Cloruro de metiltioninio ()
Provayblue ()
NSC-215213 ()
C.I. Basic Blue 9 trihydrate ()
Methylthionine hydrochloride ()
Methylenium ceruleum ()
Trx0014 ()
Methylthioninium Chloride ()
C.I. 52015 ()
NSC-617593 ()
Methylene Blue ()
P&D ID
PD055150
CAS
7220-79-3
Tags
available
drug
prodrug
Drug Status
approved
Max Phase
4.0
Drug indication
Antidote (to cyanide poisoning)
Antimethemoglobinemic
First approval
2016
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 ]]
Cell lines
1
Organisms
1
Compound Sets
3
ChEMBL Approved Drugs
ChEMBL Drugs
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
16
Properties
(calculated by RDKit )
Molecular Weight
373.12
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
1
Ring Count
3
Aromatic Ring Count
1
cLogP
-2.97
TPSA
113.64
Fraction CSP3
0.25
Chiral centers
0.0
Largest ring
6.0
QED
0.33
QED
0.33
Structural alerts
4
aggregator (ZINC)
Aggregators
aggregator (Aggregator Advisor)
Aggregators
AlphaScreen FH
Nuisance compounds
Singlet oxygen sensitization
Nuisance compounds
Related compounds
Custom attributes
(extracted from source data)
Pathway
Cytoskeletal Signaling
Target
Tau aggregation
MOA
Microtubule Associated inhibitor
Source data
