UCSF

ZINC19093815

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2008 18 Yes

Popular Name: 4-oxo-1,4-dihydrobenzo[h]quinoline-3-carboxylic acid 4-oxo-1,4-dihydrobenzo[h]quinoli…

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CAS Numbers: 35957-14-3 , 51726-83-1

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) 1.37 8.15 -67.49 1 4 -1 73 238.222 1 ↓
Lo Low (pH 4.5-6) 1.37 5.68 -34.43 2 4 0 76 239.23 1 ↓
Lo Low (pH 4.5-6) 2.67 6.32 -36.62 2 4 0 74 239.23 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CSK21-1-E Casein Kinase II Alpha (cluster #1 Of 3), Eukaryotic Eukaryotes 280 0.51 Binding ≤ 10μM
CSK22-1-E Casein Kinase II Alpha (prime) (cluster #1 Of 2), Eukaryotic Eukaryotes 280 0.51 Binding ≤ 10μM
CSK2B-1-E Casein Kinase II Beta (cluster #1 Of 3), Eukaryotic Eukaryotes 280 0.51 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CSK21_HUMAN P68400 Casein Kinase II Alpha, Human 1000 0.47 Binding ≤ 1μM
CSK22_HUMAN P19784 Casein Kinase II Alpha (prime), Human 1000 0.47 Binding ≤ 1μM
CSK2B_HUMAN P67870 Casein Kinase II Beta, Human 1000 0.47 Binding ≤ 1μM
CSK21_HUMAN P68400 Casein Kinase II Alpha, Human 1000 0.47 Binding ≤ 10μM
CSK22_HUMAN P19784 Casein Kinase II Alpha (prime), Human 1000 0.47 Binding ≤ 10μM
CSK2B_HUMAN P67870 Casein Kinase II Beta, Human 1000 0.47 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Condensation of Prometaphase Chromosomes
Signal transduction by L1
WNT mediated activation of DVL

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

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