UCSF

ZINC14974132

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 30 Yes

Popular Name: AMG-517 AMG-517

Find On: PubMed — Wikipedia — Google

CAS Number: 659730-32-2

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) 4.40 8.88 -15.74 1 6 0 77 430.411 5 ↓

Vendor Notes

Note Type Comments Provided By
Indications analgesic KeyOrganics Bioactives
Target TRPV Selleck Chemicals

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 3), Eukaryotic Eukaryotes 1 0.42 Binding ≤ 10μM
TRPV1-2-E Vanilloid Receptor (cluster #2 Of 4), Eukaryotic Eukaryotes 1 0.42 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TRPV1_HUMAN Q8NER1 Vanilloid Receptor, Human 0.9 0.42 Binding ≤ 1μM
TRPV1_RAT O35433 Vanilloid Receptor, Rat 0.5 0.43 Binding ≤ 1μM
TRPV1_HUMAN Q8NER1 Vanilloid Receptor, Human 0.9 0.42 Binding ≤ 10μM
TRPV1_RAT O35433 Vanilloid Receptor, Rat 0.5 0.43 Binding ≤ 10μM
TRPV1_HUMAN Q8NER1 Vanilloid Receptor, Human 0.6 0.43 Functional ≤ 10μM
TRPV1_RAT O35433 Vanilloid Receptor, Rat 0.5 0.43 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
TRP channels

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

No pre-computed analogs available. Try a structural similarity search.