Details of the Drug

General Information of Drug (ID: DMGUWFJ)

Drug Name

RWJ-61907

Indication

Disease Entry	ICD 11	Status	REF
Fungal infection	1F29-1F2F	Investigative	[1]
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Therapeutic Class

Antifungal Agents

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

369.4

Logarithm of the Partition Coefficient (xlogp)

3.2

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

5

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C22H19N5O
IUPAC Name: 2-[4-(4-carbamimidoylphenoxy)phenyl]-1H-indole-6-carboximidamide
Canonical SMILES: C1=CC(=CC=C1C2=CC3=C(N2)C=C(C=C3)C(=N)N)OC4=CC=C(C=C4)C(=N)N
InChI: InChI=1S/C22H19N5O/c23-21(24)14-5-9-18(10-6-14)28-17-7-3-13(4-8-17)19-11-15-1-2-16(22(25)26)12-20(15)27-19/h1-12,27H,(H3,23,24)(H3,25,26)
InChIKey: OSSYTOVYXCAWPG-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial Sporulation kinase A (Bact kinA)	TTJVCG0	KINA_BACSU	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Antifungal agents: mode of action in yeast cells. Rev Esp Quimioter. 2006 Jun;19(2):130-9.