UCSF

ZINC01697652

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 21 No

Popular Name: NONIVAMIDE NONIVAMIDE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2444-46-4 , [2444-46-4]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.12 -1.49 -9.46 2 4 0 58 293.407 10 ↓

Vendor Notes

Note Type Comments Provided By
Therapy analgesic (topical), depletes Substance P SMDC Iconix
Patent Database Links EP1639993 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TRPV1-1-E Vanilloid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 550 0.42 Functional ≤ 10μM
TRPV2-1-E Transient Receptor Potential Cation Channel Subfamily V Member 2 (cluster #1 Of 3), Eukaryotic Eukaryotes 550 0.42 Functional ≤ 10μM
TRPV4-1-E Transient Receptor Potential Cation Channel Subfamily V Member 4 (cluster #1 Of 3), Eukaryotic Eukaryotes 550 0.42 Functional ≤ 10μM
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 400 0.43 Functional ≤ 10μM
Z50597-1-O Rattus Norvegicus (cluster #1 Of 12), Other Other 550 0.42 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50512 Z50512 Cavia Porcellus 400 0.43 Functional ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 550 0.42 Functional ≤ 10μM
TRPV2_RAT Q9WUD2 Transient Receptor Potential Cation Channel Subfamily V Member 2, Rat 550 0.42 Functional ≤ 10μM
TRPV4_RAT Q9ERZ8 Transient Receptor Potential Cation Channel Subfamily V Member 4, Rat 550 0.42 Functional ≤ 10μM
TRPV1_RAT O35433 Vanilloid Receptor, Rat 550 0.42 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
TRP channels

Analogs ( Draw Identity 99% 90% 80% 70% )