Details of the Drug

General Information of Drug (ID: DM1S9DB)

Drug Name

6-iodo-nordihydrocapsaicin

Synonyms

GTPL4110

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

419.3

Logarithm of the Partition Coefficient (xlogp)

4.5

Rotatable Bond Count (rotbonds)

9

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]-7-methyloctanamide
Canonical SMILES: CC(C)CCCCCC(=O)NCC1=CC(=C(C=C1I)O)OC
InChI: InChI=1S/C17H26INO3/c1-12(2)7-5-4-6-8-17(21)19-11-13-9-16(22-3)15(20)10-14(13)18/h9-10,12,20H,4-8,11H2,1-3H3,(H,19,21)
InChIKey: MGJQSBQUFTWMOG-UHFFFAOYSA-N

Cross-matching ID

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	Blocker (channel blocker)	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4110).
2	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 507).