UCSF

ZINC49554541

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 28 No

Popular Name: 2-chloro-5-methyl-N-(2-morpholinoethyl)indolo[2,3-b]quinolin-11-amine 2-chloro-5-methyl-N-(2-morpholin…

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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) 0.74 8.59 -27.4 2 5 1 44 395.914 4 ↓
Mid Mid (pH 6-8) 0.74 10.86 -85.34 3 5 2 45 396.922 4 ↓

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 690 0.31 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 690 0.31 Functional ≤ 10μM

Rings

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

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