UCSF

ZINC38156956

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2010 42 No

Popular Name: N-[9-(heptylamino)-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-3-yl]-3-pyrrolidin-1-yl-propanamide N-[9-(heptylamino)-6-(3-pyrrolid…

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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) 6.23 15.09 -136.84 6 8 3 93 575.822 15 ↓
Mid Mid (pH 6-8) 6.23 14.74 -95.32 5 8 2 92 574.814 15 ↓

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 210 0.22 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TERT_HUMAN O14746 Telomerase Reverse Transcriptase, Human 210 0.22 Binding ≤ 1μM
TERT_HUMAN O14746 Telomerase Reverse Transcriptase, Human 210 0.22 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% )