Details of the Drug

General Information of Drug (ID: DM0GSRL)

Drug Name
6'-Iodononivamide
Synonyms
859171-97-4; CHEMBL177809; Tocris-1975; NCGC00025334-01; AC1NP3A0; CTK8E7732; DTXSID70408796; MolPort-003-983-501; CHEBI:107654; HMS3268B17; ZINC8036052; MFCD09878233; BN0036; BDBM50170053; AKOS024456886; RT-010669; N-(4-hydroxy-2-iodo-5-methoxybenzyl)nonanamide; N-(2-Iodo-4-hydroxy-5-methoxybenzyl)nonanamide; 6-Iodonordihydrocapsaicin, > SR-01000597523; SR-01000597523-1; BRD-K49236613-001-01-5; Nonanoic acid 4-hydroxy-2-iodo-5-methoxy-benzylamide
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 419.3
Logarithm of the Partition Coefficient (xlogp) 4.8
Rotatable Bond Count (rotbonds) 10
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C17H26INO3
IUPAC Name
N-[(4-hydroxy-2-iodo-5-methoxyphenyl)methyl]nonanamide
Canonical SMILES
CCCCCCCCC(=O)NCC1=CC(=C(C=C1I)O)OC
InChI
InChI=1S/C17H26INO3/c1-3-4-5-6-7-8-9-17(21)19-12-13-10-16(22-2)15(20)11-14(13)18/h10-11,20H,3-9,12H2,1-2H3,(H,19,21)
InChIKey
AAORACFZMYMFCG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5149140
ChEBI ID
CHEBI:107654
CAS Number
859171-97-4
TTD ID
D05NTO

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Transient receptor potential cation channel V1 (TRPV1) TTMI6F5 TRPV1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Halogenation of 4-hydroxy/amino-3-methoxyphenyl acetamide TRPV1 agonists showed enhanced antagonism to capsaicin. Bioorg Med Chem. 2010 Nov 15;18(22):8092-105.