Details of the Drug

General Information of Drug (ID: DMGFOQJ)

Drug Name

(S)-N-[1-(3-morpholin-4-yl-phenyl)-ethyl]-3-phenyl-acrylamide

Synonyms

(S)-1 [PMID: 16904708]; compound 2 [PMID: 12852750]

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

336.4

Logarithm of the Partition Coefficient (xlogp)

3.3

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C21H24N2O2
IUPAC Name: (E)-N-[(1S)-1-(3-morpholin-4-ylphenyl)ethyl]-3-phenylprop-2-enamide
Canonical SMILES: C[C@@H](C1=CC(=CC=C1)N2CCOCC2)NC(=O)/C=C/C3=CC=CC=C3
InChI: InChI=1S/C21H24N2O2/c1-17(22-21(24)11-10-18-6-3-2-4-7-18)19-8-5-9-20(16-19)23-12-14-25-15-13-23/h2-11,16-17H,12-15H2,1H3,(H,22,24)/b11-10+/t17-/m0/s1
InChIKey: QMIMHUDEVKGOTQ-DVQDXYAYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Voltage-gated potassium channel Kv7.2 (KCNQ2)	TTPXI3S	KCNQ2_HUMAN	Activator	[1]
Voltage-gated potassium channel Kv7.4 (KCNQ4)	TT8HGRW	KCNQ4_HUMAN	Activator	[1]
Voltage-gated potassium channel Kv7.5 (KCNQ5)	TTWVL5Q	KCNQ5_HUMAN	Activator	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	The acrylamide (S)-1 differentially affects Kv7 (KCNQ) potassium channels. Neuropharmacology. 2006 Nov;51(6):1068-77.