UCSF

ZINC64548522

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 33 Yes

Popular Name: 2-[3-chloro-11-(2-diethylaminoethyloxy)indolo[3,2-b]quinolin-10-yl]-N,N-diethyl-ethanamine 2-[3-chloro-11-(2-diethylaminoet…

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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) 6.36 16.13 -178.24 3 5 3 37 470.081 11 ↓
Hi High (pH 8-9.5) 6.36 11.08 -7.14 0 5 0 34 467.057 11 ↓
Hi High (pH 8-9.5) 6.36 11.72 -22.39 1 5 1 35 468.065 11 ↓
Mid Mid (pH 6-8) 6.36 15.75 -118.16 2 5 2 36 469.073 11 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 186 0.29 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 186 0.29 Functional ≤ 10μM

Rings

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

No pre-computed analogs available. Try a structural similarity search.