UCSF

ZINC49771347

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2010 43 No

Popular Name: N-[9-[2-[(2R)-1-methylpyrrolidin-2-yl]ethylamino]-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-3-yl]-3 N-[9-[2-[(2R)-1-methylpyrrolidin…

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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) 3.96 14.44 -221.66 7 9 4 98 589.829 12 ↓
Mid Mid (pH 6-8) 3.96 14.07 -157.84 6 9 3 96 588.821 12 ↓

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 18 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TERT_HUMAN O14746 Telomerase Reverse Transcriptase, Human 18 0.25 Binding ≤ 1μM
TERT_HUMAN O14746 Telomerase Reverse Transcriptase, Human 18 0.25 Binding ≤ 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% )