Details of the Drug

General Information of Drug (ID: DM8ZHP1)

Drug Name

MCI-186

Synonyms

Edarabone; Edaravone; Methylphenylpyrazolone; Monopyrazolone; Norantipyrine; Norphenazone; Phenylmethylpyrazolone; Radicut; Developer Z; Edaravone [INN]; Phenyl methyl pyrazolone; CDS1_000986; CI Developer 1; IN1263; M0687; MCI 186; Edaravone(jan); Radicut (TN); AE-641/00371017; C.I. Developer 1; Edaravone (JAN/INN); (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

Indication

Disease Entry	ICD 11	Status	REF
Amyotrophic lateral sclerosis	8B60.0	Approved	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

174.2

Topological Polar Surface Area (xlogp)

1.3

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Absorption AUC: The area under the plot of plasma concentration (AUC) of drug is 2.95 mgh/L [2]
Absorption Cmax: The maximum plasma concentration (Cmax) of drug is 263 mcg/L [2]
Absorption Tmax: The time to maximum plasma concentration (Tmax) is 2.3 h [2]
Clearance: The clearance of drug is 0.1 L/min [3]
Half-life: The concentration or amount of drug in body reduced by one-half in 4.5 - 6 hours [4]
Metabolism: The drug is metabolized via renal [5]
Vd: The volume of distribution (Vd) of drug is 18.5 L/kg [3]

Chemical Identifiers

Formula: C10H10N2O
IUPAC Name: 5-methyl-2-phenyl-4H-pyrazol-3-one
Canonical SMILES: CC1=NN(C(=O)C1)C2=CC=CC=C2
InChI: InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey: QELUYTUMUWHWMC-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 4021
ChEBI ID: CHEBI:31530
CAS Number: 89-25-8
DrugBank ID: DB12243
TTD ID: D06DLI
VARIDT ID: DR00101
INTEDE ID: DR1756
ACDINA ID: D01030

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Apoptosis regulator Bcl-2 (BCL-2)	TTJGNVC	BCL2_HUMAN	Regulator (upregulator)	[6]

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Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Organic anion transporter 1 (SLC22A6)	DTQ23VB	S22A6_HUMAN	Substrate	[7]
Organic anion transporter 3 (SLC22A8)	DTVP67E	S22A8_HUMAN	Substrate	[7]

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Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
UDP-glucuronosyltransferase 1A1 (UGT1A1)_{Main DME}	DEYGVN4	UD11_HUMAN	Substrate	[8]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Amyotrophic lateral sclerosis

ICD Disease Classification

8B60.0

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Apoptosis regulator Bcl-2 (BCL-2)	DTT	BCL2	2.52E-02	0.17	0.72
Organic anion transporter 3 (SLC22A8)	DTP	OAT3	8.95E-02	-1.21E-01	-4.10E-01
Organic anion transporter 3 (SLC22A8)	DTP	OAT3	5.50E-01	4.15E-02	1.96E-01
Organic anion transporter 1 (SLC22A6)	DTP	OAT1	5.80E-01	4.39E-02	1.78E-01
Organic anion transporter 1 (SLC22A6)	DTP	OAT1	4.64E-01	-3.69E-02	-2.34E-01
UDP-glucuronosyltransferase 1A1 (UGT1A1)	DME	UGT1A1	6.40E-01	3.70E-02	1.48E-01
UDP-glucuronosyltransferase 1A1 (UGT1A1)	DME	UGT1A1	5.01E-01	1.93E-01	4.52E-01

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG

DIG Name	DIG ID	PubChem CID	Functional Classification
Cysteine hydrochloride	E00318	25150	Antioxidant
Phosphoric acid	E00039	1004	Acidulant; Buffering agent
Sodium chloride	E00077	5234	Diluent; Tonicity agent
Sodium hydroxide	E00234	14798	Alkalizing agent
Sodium sulhydrate	E00549	23665763	Antimicrobial preservative
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Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Edaravone 30 mg/100 ml Injection	30 mg/100 ml	Injection	Intravenous

Jump to Detail Pharmaceutical Formulation Page of This Drug

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