UCSF

ZINC01544274

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 33 Yes

Popular Name: 2-(3,5-dichlorophenyl)-N-[(3R)-1-isopropyl-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]acetamide 2-(3,5-dichlorophenyl)-N-[(3R)-1…

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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) 4.93 11.5 -12.9 1 5 0 62 480.395 5 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0776203A1 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCND3-1-E Voltage-gated Potassium Channel Subunit Kv4.3 (cluster #1 Of 1), Eukaryotic Eukaryotes 10 0.34 Functional ≤ 10μM
KCNQ1-1-E Voltage-gated Potassium Channel Subunit Kv7.1 (cluster #1 Of 1), Eukaryotic Eukaryotes 10 0.34 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KCND3_HUMAN Q9UK17 Voltage-gated Potassium Channel Subunit Kv4.3, Human 10 0.34 Functional ≤ 10μM
KCNQ1_CAVPO O70344 Voltage-gated Potassium Channel Subunit Kv7.1, Guinea Pig 10 0.34 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Voltage gated Potassium channels

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