UCSF

ZINC07999092

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2006 22 Yes

Popular Name: CHROMANOL 293B CHROMANOL 293B

Find On: PubMed — Wikipedia — Google

CAS Number: 163163-23-3

Other Names:

MFCD06799499

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) 1.44 2.33 -15.46 1 6 0 91 324.402 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCNE1-1-E Voltage-gated Potassium Channel Beta Subunit Mink (cluster #1 Of 2), Eukaryotic Eukaryotes 5000 0.34 Binding ≤ 10μM
KCNQ1-1-E Voltage-gated Potassium Channel Subunit Kv7.1 (cluster #1 Of 2), Eukaryotic Eukaryotes 5000 0.34 Binding ≤ 10μM
KCND3-1-E Voltage-gated Potassium Channel Subunit Kv4.3 (cluster #1 Of 1), Eukaryotic Eukaryotes 1400 0.37 Functional ≤ 10μM
KCNQ1-1-E Voltage-gated Potassium Channel Subunit Kv7.1 (cluster #1 Of 1), Eukaryotic Eukaryotes 6200 0.33 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KCNE1_HUMAN P15382 Voltage-gated Potassium Channel Beta Subunit Mink, Human 5000 0.34 Binding ≤ 10μM
KCNQ1_HUMAN P51787 Voltage-gated Potassium Channel Subunit Kv7.1, Human 5000 0.34 Binding ≤ 10μM
KCND3_HUMAN Q9UK17 Voltage-gated Potassium Channel Subunit Kv4.3, Human 1400 0.37 Functional ≤ 10μM
KCNQ1_CAVPO O70344 Voltage-gated Potassium Channel Subunit Kv7.1, Guinea Pig 6200 0.33 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Voltage gated Potassium channels

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