UCSF

ZINC21983255

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 32 No

Popular Name: AZIMILIDE AZIMILIDE

Find On: PubMed — Wikipedia — Google

CAS Number: 149908-53-2

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) 3.17 10.34 -42.7 1 8 1 74 458.97 8 ↓
Hi High (pH 8-9.5) 3.17 8.01 -10.35 0 8 0 73 457.962 8 ↓
Mid Mid (pH 6-8) 3.17 10.48 -41.64 1 8 1 74 458.97 8 ↓

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 5850 0.23 Binding ≤ 10μM
KCNQ1-2-E Voltage-gated Potassium Channel Subunit Kv7.1 (cluster #2 Of 2), Eukaryotic Eukaryotes 240 0.29 Binding ≤ 10μM
KCNH2-1-E HERG (cluster #1 Of 2), Eukaryotic Eukaryotes 560 0.27 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KCNH2_HUMAN Q12809 HERG, Human 400 0.28 Binding ≤ 1μM
KCNH2_CAVPO O08703 Potassium Voltage-gated Channel Subfamily H Member 2, Guinea Pig 180 0.30 Binding ≤ 1μM
KCNQ1_CAVPO O70344 Voltage-gated Potassium Channel Subunit Kv7.1, Guinea Pig 240 0.29 Binding ≤ 1μM
KCNH2_HUMAN Q12809 HERG, Human 1412.53754 0.26 Binding ≤ 10μM
KCNH2_CAVPO O08703 Potassium Voltage-gated Channel Subfamily H Member 2, Guinea Pig 180 0.30 Binding ≤ 10μM
KCNQ1_CAVPO O70344 Voltage-gated Potassium Channel Subunit Kv7.1, Guinea Pig 240 0.29 Binding ≤ 10μM
KCNH2_HUMAN Q12809 HERG, Human 560 0.27 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Voltage gated Potassium channels

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