Details of the Drug

General Information of Drug (ID: DMET0H4)

Drug Name

IQB-9302

Indication

Disease Entry	ICD 11	Status	REF
Pain	MG30-MG3Z	Phase 1	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

286.4

Logarithm of the Partition Coefficient (xlogp)

2.8

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C18H26N2O
IUPAC Name: 1-(cyclopropylmethyl)-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
Canonical SMILES: CC1=C(C(=CC=C1)C)NC(=O)C2CCCCN2CC3CC3
InChI: InChI=1S/C18H26N2O/c1-13-6-5-7-14(2)17(13)19-18(21)16-8-3-4-11-20(16)12-15-9-10-15/h5-7,15-16H,3-4,8-12H2,1-2H3,(H,19,21)
InChIKey: DNUYDQISHIJMLD-UHFFFAOYSA-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 Kv1.5 (KCNA5)	TTW0CMT	KCNA5_HUMAN	Opener	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Stereoselective effects of the enantiomers of a new local anaesthetic, IQB-9302, on a human cardiac potassium channel (Kv1.5). Br J Pharmacol. 2001 Jan;132(2):385-92.