UCSF

ZINC53298508

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2010 28 Yes

Popular Name: 2-[4-[(6-chloro-3-pyridyl)methoxy]phenyl]-5,7-dihydroxy-chromen-4-one 2-[4-[(6-chloro-3-pyridyl)methox…

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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) 4.38 5.89 -16.14 2 6 0 93 395.798 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TERT-1-E Telomerase Reverse Transcriptase (cluster #1 Of 2), Eukaryotic Eukaryotes 3500 0.27 Binding ≤ 10μM
DPO1-1-B Taq Polymerase 1 (cluster #1 Of 2), Bacterial Bacteria 6800 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPO1_THEAQ P19821 Taq Polymerase 1, Theaq 6800 0.26 Binding ≤ 10μM
TERT_HUMAN O14746 Telomerase Reverse Transcriptase, Human 3500 0.27 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
formation of the beta-catenin:TCF transactivating complex
Telomere Extension By Telomerase

Rings

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

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