General Information of the Compound
Compound ID
CP0049381
Compound Name
N-[(4-hydroxy-2-iodo-5-methoxyphenyl)methyl]nonanamide
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Synonyms
6'-Iodononivamide
6-Iodonordihydrocapsaicin, &gt
859171-97-4
AC1NP3A0
AKOS024456886
BDBM50170053
BN0036
BRD-K49236613-001-01-5
CHEBI:107654
CHEMBL177809
CTK8E7732
DTXSID70408796
HMS3268B17
MFCD09878233
MolPort-003-983-501
N-(2-Iodo-4-hydroxy-5-methoxybenzyl)nonanamide
N-(4-hydroxy-2-iodo-5-methoxybenzyl)nonanamide
NCGC00025334-01
Nonanoic acid 4-hydroxy-2-iodo-5-methoxy-benzylamide
RT-010669
SR-01000597523
SR-01000597523-1
Tocris-1975
ZINC8036052
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Structure
Formula
C17H26INO3
Molecular Weight
419.303
Canonical SMILES
CCCCCCCCC(=O)NCc1cc(OC)c(O)cc1I
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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)
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InChIKey
AAORACFZMYMFCG-UHFFFAOYSA-N
Physicochemical Property
logP
4.3722
Rotatable Bonds
10
Heavy Atom Count
22
Polar Areas
58.56
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
22

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 5149140
SID: 15451871
ChEMBL ID
CHEMBL177809
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 10 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01914, Transient receptor potential cation channel subfamily V member 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  2
1
Ki = 127 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Ki = 1320 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 6'-Iodononivamide )
Drug Name 6'-Iodononivamide
Target(s)
Transient receptor potential cation channel V1 (TRPV1)
 Target Info 
Inhibitor