UCSF

ZINC37866063

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2009 25 No

Popular Name: 2,5-dihydroxy-3-(1H-indol-3-yl)-6-phenyl-1,4-benzoquinone 2,5-dihydroxy-3-(1H-indol-3-yl)-…

Find On: PubMed — Wikipedia — Google

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) 3.57 10.52 -119.88 1 5 -2 96 329.311 2 ↓
Mid Mid (pH 6-8) 3.57 7.41 -48.43 2 5 -1 93 330.319 2 ↓
Mid Mid (pH 6-8) 3.57 7.39 -48.98 2 5 -1 93 330.319 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
INSR-1-E Insulin Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 300 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
INSR_HUMAN P06213 Insulin Receptor, Human 300 0.37 Binding ≤ 1μM
INSR_HUMAN P06213 Insulin Receptor, Human 300 0.37 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Insulin receptor recycling
IRS activation
SHC activation
Signal attenuation
Signaling by Insulin receptor

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