UCSF

ZINC05010638

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2006 22 Yes

Popular Name: 1,4-Benzenediamine, N-9-acridinyl-; 4-(9-Acridinylamino)aniline; 9-(4-Aminoanilino)acridine; 9-(p-Aminoanilino)acridine; Acridine, 9-(p-aminoanilino)-; BRN 0414107; CCRIS 4549; LS-14187; SN 7281 1,4-Benzenediamine, N-9-acridiny…

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) 4.77 7.67 -8.45 3 3 0 51 285.35 2 ↓

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 1500 0.37 Functional ≤ 10μM
Z50460-4-O Leishmania Major (cluster #4 Of 4), Other Other 2100 0.36 Functional ≤ 10μM
Z80193-10-O L1210 (Lymphocytic Leukemia Cells) (cluster #10 Of 12), Other Other 350 0.41 Functional ≤ 10μM
Z81072-6-O Jurkat (Acute Leukemic T-cells) (cluster #6 Of 10), Other Other 750 0.39 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81072 Z81072 Jurkat (Acute Leukemic T-cells) 750 0.39 Functional ≤ 10μM
Z80193 Z80193 L1210 (Lymphocytic Leukemia Cells) 350 0.41 Functional ≤ 10μM
Z50460 Z50460 Leishmania Major 2100 0.36 Functional ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 1500 0.37 Functional ≤ 10μM

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