UCSF

ZINC27899422

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 17 Yes

Popular Name: 3-[(E)-2-(4-pyridyl)vinyl]-1H-indole 3-[(E)-2-(4-pyridyl)vinyl]-1H-in…

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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) 3.18 7.67 -9.51 1 2 0 29 220.275 2 ↓
Lo Low (pH 4.5-6) 3.18 8.12 -37.76 2 2 1 30 221.283 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
T23O-1-E Tryptophan 2,3-dioxygenase (cluster #1 Of 1), Eukaryotic Eukaryotes 30 0.62 Binding ≤ 10μM
Z50597-10-O Rattus Norvegicus (cluster #10 Of 12), Other Other 1500 0.48 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
T23O_RAT P21643 Tryptophan 2,3-dioxygenase, Rat 30 0.62 Binding ≤ 1μM
T23O_RAT P21643 Tryptophan 2,3-dioxygenase, Rat 30 0.62 Binding ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 1500 0.48 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Tryptophan catabolism

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