Details of the Drug

General Information of Drug (ID: DM4WUEP)

Drug Name

U-54494A

Synonyms

C18H24Cl2N2O; U 54494A; U 54494; U-54494; U-54494A; cis-3,4-Dichloro-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)benzamide; Benzamide, 3,4-dichloro-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)-, trans-; AC1L3TTM; 92953-41-8; AC1Q3O5Y; SCHEMBL11610023; 3,4-dichloro-n-methyl-n-[(1r,2r)-2-(pyrrolidin-1-yl)cyclohexyl]benzamide; LS-178194; A845921; UNII-I3NE36R0XJ component JUBNVWGVNWIXMB-IAGOWNOFSA-N; trans-3,4-dichloro-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]benzamide

Indication

Disease Entry	ICD 11	Status	REF
Epilepsy	8A60-8A68	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

355.3

Logarithm of the Partition Coefficient (xlogp)

4.5

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C18H24Cl2N2O
IUPAC Name: 3,4-dichloro-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]benzamide
Canonical SMILES: CN([C@@H]1CCCC[C@H]1N2CCCC2)C(=O)C3=CC(=C(C=C3)Cl)Cl
InChI: InChI=1S/C18H24Cl2N2O/c1-21(18(23)13-8-9-14(19)15(20)12-13)16-6-2-3-7-17(16)22-10-4-5-11-22/h8-9,12,16-17H,2-7,10-11H2,1H3/t16-,17-/m1/s1
InChIKey: JUBNVWGVNWIXMB-IAGOWNOFSA-N

Cross-matching ID

PubChem CID: 122015
CAS Number: 92953-41-8
TTD ID: D0B7HJ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Sodium channel unspecific (NaC)	TTRK8B9	NOUNIPROTAC	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800002236)
2	U-54494A: a unique anticonvulsant related to kappa opioid agonists. J Pharmacol Exp Ther. 1987 Nov;243(2):542-7.