UCSF

ZINC28386005

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2009 29 Yes

Popular Name: 3,6,9-tripyrrolidin-1-ylacridine 3,6,9-tripyrrolidin-1-ylacridine

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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) 5.17 9 -21.46 1 4 1 24 387.551 3 ↓

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 90 0.34 Binding ≤ 10μM
Z81034-6-O A2780 (Ovarian Carcinoma Cells) (cluster #6 Of 10), Other Other 10000 0.24 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TERT_HUMAN O14746 Telomerase Reverse Transcriptase, Human 90 0.34 Binding ≤ 1μM
TERT_HUMAN O14746 Telomerase Reverse Transcriptase, Human 90 0.34 Binding ≤ 10μM
Z81034 Z81034 A2780 (Ovarian Carcinoma Cells) 10000 0.24 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% )