Details of the Drug

General Information of Drug (ID: DM8CYJ1)

Drug Name
AVP-13358
Synonyms IgE inhibitors, AVANIR; Allergy/asthma therapeutic, AVANIR
Indication
Disease Entry ICD 11 Status REF
Rhinitis FA20 Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 491.6
Logarithm of the Partition Coefficient (xlogp) 5
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C30H29N5O2
IUPAC Name
2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide
Canonical SMILES
C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=C(C=C4)C5=NC6=C(N5)C=C(C=C6)C(=O)NC7=CC=CC=N7
InChI
InChI=1S/C30H29N5O2/c36-28(35-26-3-1-2-10-31-26)22-6-9-24-25(14-22)34-27(33-24)21-4-7-23(8-5-21)32-29(37)30-15-18-11-19(16-30)13-20(12-18)17-30/h1-10,14,18-20H,11-13,15-17H2,(H,32,37)(H,33,34)(H,31,35,36)
InChIKey
LUPHOOKVGNVAFT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9805635
CAS Number
459805-03-9
TTD ID
D0P9YP

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Immunoglobulin E (IgE) TTYJQTF NOUNIPROTAC Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 AVANIR Reports Positive Interim Phase I Safety Data on Asthma/Allergy Drug Candidate; Potential Asthma/Allergy Product Modulates IgE and Th2 Cytokines Orally
2 Novel 2-(substituted phenyl)benzimidazole derivatives with potent activity against IgE, cytokines, and CD23 for the treatment of allergy and asthma. J Med Chem. 2004 Dec 16;47(26):6451-4.