UCSF

ZINC00120515

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 Yes

Popular Name: 5-Aminoquinolin-8-ol 5-Aminoquinolin-8-ol

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 13207-66-4 , 21302-43-2 , [13207-66-4]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 1.41 0.04 -9.6 3 3 0 59 160.176 0 ↓
Lo Low (pH 4.5-6) 1.41 0.39 -30.15 4 3 1 60 161.184 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 98% Fluorochem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
I23O1-3-E Indoleamine 2,3-dioxygenase 1 (cluster #3 Of 5), Eukaryotic Eukaryotes 1000 0.70 Binding ≤ 10μM
T23O-1-E Tryptophan 2,3-dioxygenase (cluster #1 Of 1), Eukaryotic Eukaryotes 5000 0.62 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
I23O1_MOUSE P28776 Indoleamine 2,3-dioxygenase 1, Mouse 1000 0.70 Binding ≤ 1μM
I23O1_HUMAN P14902 Indoleamine 2,3-dioxygenase, Human 3000 0.64 Binding ≤ 10μM
I23O1_MOUSE P28776 Indoleamine 2,3-dioxygenase 1, Mouse 1000 0.70 Binding ≤ 10μM
T23O_MOUSE P48776 Tryptophan 2,3-dioxygenase, Mouse 5000 0.62 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Tryptophan catabolism

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