UCSF

ZINC36377694

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 25 Yes

Popular Name: DNC009560 DNC009560

Find On: PubMed — Wikipedia — Google

Other Names:

JNJ-10392980

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) 4.60 7.55 -44.43 1 5 1 49 339.415 6 ↓
Hi High (pH 8-9.5) 4.60 5.34 -10 0 5 0 48 338.407 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCNH2-1-E HERG (cluster #1 Of 5), Eukaryotic Eukaryotes 1000 0.34 Binding ≤ 10μM
LKHA4-2-E Leukotriene A4 Hydrolase (cluster #2 Of 2), Eukaryotic Eukaryotes 51 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KCNH2_HUMAN Q12809 HERG, Human 1000 0.34 Binding ≤ 1μM
LKHA4_MOUSE P24527 Leukotriene A4 Hydrolase, Mouse 51 0.41 Binding ≤ 1μM
LKHA4_HUMAN P09960 Leukotriene A4 Hydrolase, Human 11 0.45 Binding ≤ 1μM
KCNH2_HUMAN Q12809 HERG, Human 1000 0.34 Binding ≤ 10μM
LKHA4_MOUSE P24527 Leukotriene A4 Hydrolase, Mouse 51 0.41 Binding ≤ 10μM
LKHA4_HUMAN P09960 Leukotriene A4 Hydrolase, Human 11 0.45 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Synthesis of Leukotrienes (LT) and Eoxins (EX)
Voltage gated Potassium channels

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

No pre-computed analogs available. Try a structural similarity search.