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]
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
PubChem CID
47626
ChEBI ID
CHEMBL289577
CAS Number
65426-89-3
TTD ID
D02MQL
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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]
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.