UCSF

ZINC04151259

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 24 Yes

Popular Name: 1,4-Benzenediamine, N'-9-acridinyl-N,N-dimethyl-; 9-((p-(Dimethylamino)phenyl)amino)acridine; 9-(p-Dimethylaminoanilino)acridine; Acridine, 9-((p-(dimethylamino)phenyl)amino)-; Acridine, 9-(p-dimethylaminoanilino)-; BRN 0487364; LS-14350; N'-9-Acridinyl-N 1,4-Benzenediamine, N'-9-acridin…

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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) 5.79 -0.02 -8.52 1 3 0 28 313.404 3 ↓

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 470 0.37 Functional ≤ 10μM
Z50460-4-O Leishmania Major (cluster #4 Of 4), Other Other 900 0.35 Functional ≤ 10μM
Z80193-2-O L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other Other 600 0.36 Functional ≤ 10μM
Z81072-6-O Jurkat (Acute Leukemic T-cells) (cluster #6 Of 10), Other Other 1000 0.35 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81072 Z81072 Jurkat (Acute Leukemic T-cells) 1000 0.35 Functional ≤ 10μM
Z80193 Z80193 L1210 (Lymphocytic Leukemia Cells) 600 0.36 Functional ≤ 10μM
Z50460 Z50460 Leishmania Major 900 0.35 Functional ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 1000 0.35 Functional ≤ 10μM

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

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