UCSF

ZINC27088322

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 29 No

Popular Name: 4,5-dihydroxy-3-(1H-indol-3-yl)-6-(7-methyl-1H-indol-3-yl)-1,2-benzoquinone 4,5-dihydroxy-3-(1H-indol-3-yl)-…

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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) 4.12 8.08 -137.14 2 6 -2 112 382.375 2 ↓
Mid Mid (pH 6-8) 4.12 6.94 -69.67 3 6 -1 109 383.383 2 ↓
Mid Mid (pH 6-8) 4.12 7.3 -52.81 3 6 -1 109 383.383 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 7000 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
INSR_HUMAN P06213 Insulin Receptor, Human 7000 0.25 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% )