UCSF

ZINC05765089

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 19 Yes

Popular Name: Norlichexanthone Norlichexanthone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 20716-98-7 , [20716-98-7]

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) 2.65 0.27 -10.57 3 5 0 91 258.229 0 ↓
Hi High (pH 8-9.5) 2.65 1.04 -43.24 2 5 -1 94 257.221 0 ↓
Hi High (pH 8-9.5) 2.65 1.25 -53.23 2 5 -1 94 257.221 0 ↓
Mid Mid (pH 6-8) 2.46 1.63 -40.77 2 5 -1 94 257.221 0 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AURKB-2-E Serine/threonine-protein Kinase Aurora-B (cluster #2 Of 2), Eukaryotic Eukaryotes 3000 0.41 Binding ≤ 10μM
PIM1-1-E Serine/threonine-protein Kinase PIM1 (cluster #1 Of 1), Eukaryotic Eukaryotes 300 0.48 Binding ≤ 10μM
Z80208-1-O L5178Y (Lymphoma Cells) (cluster #1 Of 2), Other Other 1160 0.44 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PIM1_HUMAN P11309 Serine/threonine-protein Kinase PIM1, Human 300 0.48 Binding ≤ 1μM
AURKB_HUMAN Q96GD4 Serine/threonine-protein Kinase Aurora-B, Human 3000 0.41 Binding ≤ 10μM
PIM1_HUMAN P11309 Serine/threonine-protein Kinase PIM1, Human 300 0.48 Binding ≤ 10μM
Z80208 Z80208 L5178Y (Lymphoma Cells) 1160 0.44 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
APC/C:Cdh1 mediated degradation of Cdc20 and other APC/C:Cdh1 targeted proteins
Mitotic Prometaphase
Resolution of Sister Chromatid Cohesion
Separation of Sister Chromatids

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