Details of the Drug

General Information of Drug (ID: DMRZ1F2)

Drug Name

Padsevonil

Synonyms

1294000-61-5; UNII-0R1HN52K0N; UCB0942; UCB1415943-000; (R)-4-(2-chloro-2,2-difluoroethyl)-1-((2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl)pyrrolidin-2-one; (4R)-4-(2-Chloro-2,2-difluoroethyl)-1-((2-(methoxymethyl)-6-(trifluoromethyl)imidazo(2,1-b)(1,3,4)thiadiazol-5-yl)methyl)pyrrolidin-2-one; (4R)-4-(2-chloro-2,2-difluoroethyl)-1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one; Padsevonil [INN]; Padsevonil [USAN]; Padsevonil (JAN/USAN); SCHEMBL1672843; CHEMBL4297521; UCB-0942; WHO 10384; DB14977; SB18725; HY-109009; CS-0030507; D11842; Q27237119; (4R)-4-(2-Chloro-2,2-difluoroethyl)-1-((2-(methoxymethyl)-6-(trifluoromethyl)imidazo(2,1-b)(1,3,4)thiadiazol-5-yl)methyl)-2-pyrrolidinone; 2-Pyrrolidinone, 4-(2-chloro-2,2-difluoroethyl)-1-((2-(methoxymethyl)-6-(trifluoromethyl)imidazo(2,1-b)-1,3,4-thiadiazol-5-yl)methyl)-, (4R)-

Indication

Disease Entry	ICD 11	Status	REF
Epilepsy	8A60-8A68	Phase 2/3	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

432.8

Logarithm of the Partition Coefficient (xlogp)

2.5

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C14H14ClF5N4O2S
IUPAC Name: (4R)-4-(2-chloro-2,2-difluoroethyl)-1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one
Canonical SMILES: COCC1=NN2C(=C(N=C2S1)C(F)(F)F)CN3C[C@H](CC3=O)CC(F)(F)Cl
InChI: InChI=1S/C14H14ClF5N4O2S/c1-26-6-9-22-24-8(11(14(18,19)20)21-12(24)27-9)5-23-4-7(2-10(23)25)3-13(15,16)17/h7H,2-6H2,1H3/t7-/m1/s1
InChIKey: DCXFIOLWWRXEQH-SSDOTTSWSA-N

Cross-matching ID

PubChem CID: 52911611
CAS Number: 1294000-61-5
UNII: 0R1HN52K0N
DrugBank ID: DB14977
TTD ID: DCA5M2

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
GABA(A) receptor (GABAR)	TTCI43M	NOUNIPROTAC	Inhibitor	[2]
Synaptic vesicle glycoprotein 2A (SV2A)	TTT3P91	SV2A_HUMAN	Inhibitor	[2]

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT03370120) Study to Test the Safety and Efficacy of Padsevonil as Adjunctive Treatment of Focal-onset Seizures in Adult Subjects With Drug-resistant Epilepsy. U.S. National Institutes of Health.
2	Pharmacological Profile of the Novel Antiepileptic Drug Candidate Padsevonil: Characterization in Rodent Seizure and Epilepsy Models. J Pharmacol Exp Ther. 2020 Jan;372(1):11-20.