UCSF

ZINC38157250

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2010 21 No

Popular Name: 1-(4-hydroxy-3-methoxy-phenyl)undecan-2-one 1-(4-hydroxy-3-methoxy-phenyl)un…

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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) 5.09 9.22 -10.71 1 3 0 47 292.419 11 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TRPV1-2-E Vanilloid Receptor (cluster #2 Of 4), Eukaryotic Eukaryotes 3780 0.36 Functional ≤ 10μM
TRPV2-1-E Transient Receptor Potential Cation Channel Subfamily V Member 2 (cluster #1 Of 3), Eukaryotic Eukaryotes 3780 0.36 Functional ≤ 10μM
TRPV4-1-E Transient Receptor Potential Cation Channel Subfamily V Member 4 (cluster #1 Of 3), Eukaryotic Eukaryotes 3780 0.36 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TRPV2_RAT Q9WUD2 Transient Receptor Potential Cation Channel Subfamily V Member 2, Rat 3780 0.36 Functional ≤ 10μM
TRPV4_RAT Q9ERZ8 Transient Receptor Potential Cation Channel Subfamily V Member 4, Rat 3780 0.36 Functional ≤ 10μM
TRPV1_RAT O35433 Vanilloid Receptor, Rat 3780 0.36 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
TRP channels

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