Details of the Drug

General Information of Drug (ID: DM671NG)

Drug Name

Progabide

Synonyms

Gabren; Gabrene; Halogabide; Progabida; Progabidum; SL 76002; Gabren (TN); Gabrene (TN); Progabida [INN-Spanish]; Progabidum [INN-Latin]; SL 76-002; SL-76002; Progabide (USAN/INN); Progabide [USAN:BAN:INN]; Progabide [USAN:INN:BAN]; 4-(((4-Chlorophenyl)(5-fluoro-2-hydroxyphenyl)methylene)amino)butanamide; 4-((alpha-(p-Chlorophenyl)-5-fluorosalicylidene)amino)butyramide; 4-(alpha-(p-Chlorophenyl)-5-fluoro-2-hydroxybenzylideneamino)butyramide; 4-[[(4-chlorophenyl)-(3-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]butanamide; 4-[[(E)-(4-chlorophenyl)-(3-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]butanamide; 4-[[(Z)-(4-chlorophenyl)-(3-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]butanamide

Indication

Disease Entry	ICD 11	Status	REF
Depression	6A70-6A7Z	Approved	[1]

Therapeutic Class

Antidepressants

Affected Organisms

Humans and other mammals

ATC Code

N03AG05: Progabide

N03AG: Fatty acid derivatives

N03A: ANTIEPILEPTICS

N03: ANTIEPILEPTICS

N: NERVOUS SYSTEM

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

334.8

Logarithm of the Partition Coefficient (xlogp)

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Bioavailability: The bioavailability of drug is 60% []
Half-life: The concentration or amount of drug in body reduced by one-half in 4 hours [2]
Metabolism: The drug is metabolized via the hepatic []

Chemical Identifiers

Formula: C17H16ClFN2O2
IUPAC Name: 4-[[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methylidene]amino]butanamide
Canonical SMILES: C1=CC(=CC=C1C(=NCCCC(=O)N)C2=C(C=CC(=C2)F)O)Cl
InChI: InChI=1S/C17H16ClFN2O2/c18-12-5-3-11(4-6-12)17(21-9-1-2-16(20)23)14-10-13(19)7-8-15(14)22/h3-8,10,22H,1-2,9H2,(H2,20,23)
InChIKey: IBALRBWGSVJPAP-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 44115
ChEBI ID: CHEMBL135422
CAS Number: 62666-20-0
UNII: 38C836J57Z
DrugBank ID: DB00837
TTD ID: D0O5LA

Drug ADMET Endpoint Profile (DAE)^NEW

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Gamma-aminobutyric acid B receptor (GABBR)	TTDCVZW	GABR1_HUMAN ; GABR2_HUMAN	Agonist	[3]

Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77.
2	Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
3	Interactions between dopamine and GABA in the control of ambulatory activity and neophobia in the mouse. Pharmacol Biochem Behav. 1998 Jan;59(1):239-47.