UCSF

ZINC13556235

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 34 No

Popular Name: [3-[[9,10-dioxo-4-(3-trimethylammoniopropanoylamino)-1-anthryl]amino]-3-oxo-propyl]-trimethyl-ammoni [3-[[9,10-dioxo-4-(3-trimethylam…

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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) -4.88 13.86 -80.51 2 8 2 92 466.582 8 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TERT-2-E Telomerase Reverse Transcriptase (cluster #2 Of 2), Eukaryotic Eukaryotes 7000 0.21 Binding ≤ 10μM
Z80768-1-O CH1 (Ovarian Carcinoma Cells) (cluster #1 Of 1), Other Other 2000 0.23 Functional ≤ 10μM
Z81034-3-O A2780 (Ovarian Carcinoma Cells) (cluster #3 Of 10), Other Other 2150 0.23 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TERT_HUMAN O14746 Telomerase Reverse Transcriptase, Human 7000 0.21 Binding ≤ 10μM
Z81034 Z81034 A2780 (Ovarian Carcinoma Cells) 2150 0.23 Functional ≤ 10μM
Z80768 Z80768 CH1 (Ovarian Carcinoma Cells) 2000 0.23 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

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