UCSF

ZINC13675781

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 24 Yes

Popular Name: N,N-dimethyl-N'-(10H-quinolino[3,2-b]indol-11-yl)propane-1,3-diamine N,N-dimethyl-N'-(10H-quinolino[3…

Find On: PubMed — Wikipedia — Google

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) 4.18 8.99 -76 4 4 2 46 320.44 5 ↓

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 630 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TERT_HUMAN O14746 Telomerase Reverse Transcriptase, Human 630 0.36 Binding ≤ 1μM
TERT_HUMAN O14746 Telomerase Reverse Transcriptase, Human 630 0.36 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.