Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00101
|
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| Drug Name |
Edaravone
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| Synonyms |
(MCI-186); 1-Fenyl-3-methyl-2-pyrazolin-5-on; 1-Fenyl-3-methyl-2-pyrazolin-5-on [Czech]; 1-Phenyl-3-methyl-5-oxo-2-pyrazoline; 1-Phenyl-3-methyl-5-pyrazolone; 1-Phenyl-3-methylpyrazolone; 1-Phenyl-3-methylpyrazolone-5; 2,4-Dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one; 3-METHYL-1-PHENYL-2-PYRAZOLIN-5-ONE; 3-Methyl-1-phenyl-2-pyrazoline-5-one; 3-Methyl-1-phenyl-5-pyrazolone; 3-Methyl-1-phenylpyrazol-5-one; 5-Methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one; 5-methyl-2-phenyl-4H-pyrazol-3-one; AE-641/00371017; C.I. Developer 1; CDS1_000986; CI Developer 1; Developer Z; Edarabone; Edaravone; Edaravone (JAN/INN); Edaravone [INN]; Edaravone(jan); IN1263; M0687; MCI 186; Methylphenylpyrazolone; Monopyrazolone; Norantipyrine; Norphenazone; Phenyl methyl pyrazolone; Phenylmethylpyrazolone; Radicut; Radicut (TN)
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| Drug Type |
Small molecular drug
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| Indication | Amyotrophic lateral sclerosis [ICD11:8B60.0] | Approved | [1] | |||
| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C10H10N2O
|
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| Canonical SMILES |
CC1=NN(C(=O)C1)C2=CC=CC=C2
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| InChI |
InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
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| InChIKey |
QELUYTUMUWHWMC-UHFFFAOYSA-N
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| CAS Number |
CAS 89-25-8
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| Pharmaceutical Properties | Molecular Weight | 174.2 | Topological Polar Surface Area | 32.7 | ||
| Heavy Atom Count | 13 | Rotatable Bond Count | 1 | |||
| Hydrogen Bond Donor Count | 0 | Hydrogen Bond Acceptor Count | 2 | |||
| XLogP |
1.3
|
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| PubChem CID | ||||||
| PubChem SID |
10537545
,11113339
,11120318
,11120806
,11121294
,11121793
,11122273
,11336193
,11337201
,11361432
,11362989
,11363161
,11365551
,11365723
,11368113
,11368285
,11371129
,11371130
,11371920
,11373714
,11374640
,11376275
,11376447
,11384009
,11462404
,11485244
,11489390
,11490786
,11492905
,11494081
,11512560
,12014003
,15219562
,16959864
,17389763
,22389521
,24885706
,24897140
,25622932
,26612506
,3133945
,5663208
,583397
,66965
,69252
,7848615
,8150018
,8152519
,855774
,87060
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| ChEBI ID |
ChEBI:31530
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | OAT1 | Transporter Info | Organic anion transporter 1 | Substrate | [2] | |
| OAT3 | Transporter Info | Organic anion transporter 3 | Substrate | [2] | ||
| Drug-Transporter Activity Data | ||||||
| Drug-Transporter Activity Data | OAT1 | Transporter Info | Km =10.8 microM | Human embryonic kidney cells (HEK293)-OAT1 | [2] | |
| OAT3 | Transporter Info | Km =15.1 microM | Human embryonic kidney cells (HEK293)-OAT3 | [2] | ||
| References | ||||||
| 1 | Edaravone was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Human organic anion transporters 1 (hOAT1/SLC22A6) and 3 (hOAT3/SLC22A8) transport edaravone (MCI-186; 3-methyl-1-phenyl-2-pyrazolin-5-one) and its sulfate conjugate. Drug Metab Dispos. 2007 Aug;35(8):1429-34. | |||||
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