Details of the Drug

General Information of Drug (ID: DMSKHIC)

Drug Name

R4996

Indication

Disease Entry	ICD 11	Status	REF
Neurological disorder	6B60	Phase 1	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

208.64

Logarithm of the Partition Coefficient (xlogp)

2.4

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C11H9ClO2
IUPAC Name: [5-(4-chlorophenyl)furan-2-yl]methanol
Canonical SMILES: C1=CC(=CC=C1C2=CC=C(O2)CO)Cl
InChI: InChI=1S/C11H9ClO2/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-6,13H,7H2
InChIKey: PMHZVTQIEAIJBK-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Neuronal acetylcholine receptor alpha-7 (CHRNA7)	TTLA931	ACHA7_HUMAN	Agonist	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Clinical pipeline report, company report or official report of Roche.
2	Clinical pipeline report, company report or official report of Roche (2009).