UCSF

ZINC03860170

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) 2.84 4.1 -9.46 3 4 0 80 239.23 0

Vendor Notes

Note Type Comments Provided By
Mp [°C] 207 - 209 Acros Organics
Melting_Point 207-209? Alfa-Aesar
Melting_Point 207-209° Alfa-Aesar
MP 215 TCI
H phrase H351: Suspected of causing cancer Acros Organics
H phrase H351: Suspected of causing cancer; H341: Suspected of causing genetic defects; H371: May cause damage to organs; H304: May be fatal if swallowed and enters airways Acros Organics
P phrase P281: Use personal protective equipment as required Acros Organics
P phrase P281: Use personal protective equipment as required; P260: Do not breathe dust/fume/gas/mist/vapors/spray; P301+ P310: IF SWALLOWED: Immediately call a POISON CENTRE or doctor/physician; P331: Do NOT induce vomiting Acros Organics
R phrase R40: Limited evidence of a carcinogenic effect. Acros Organics
R phrase R40: Limited evidence of a carcinogenic effect.; R65: Harmful: may cause lung damage if swallowed.; R68: Possible risks of irreversible effects. Acros Organics
S phrase S36/37: Wear suitable protective clothing and gloves. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KC1A-1-E Casein Kinase I Alpha (cluster #1 Of 1), Eukaryotic Eukaryotes 4000 0.42 Binding ≤ 10μM
KC1D-1-E Casein Kinase I Delta (cluster #1 Of 1), Eukaryotic Eukaryotes 660 0.48 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KC1D_HUMAN P48730 Casein Kinase I Delta, Human 660 0.48 Binding ≤ 1μM
KC1A_HUMAN P48729 Casein Kinase I Alpha, Human 4000 0.42 Binding ≤ 10μM
KC1D_HUMAN P48730 Casein Kinase I Delta, Human 660 0.48 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
APC truncation mutants have impaired AXIN binding
AXIN missense mutants destabilize the destruction complex
Beta-catenin phosphorylation cascade
Circadian Clock
Degradation of beta-catenin by the destruction complex
disassembly of the destruction complex and recruitment of AXIN to the membrane
Loss of Nlp from mitotic centrosomes
Loss of proteins required for interphase microtubule organization from the ce
misspliced GSK3beta mutants stabilize beta-catenin
Recruitment of mitotic centrosome proteins and complexes
Regulation of PLK1 Activity at G2/M Transition
S33 mutants of beta-catenin aren't phosphorylated
S37 mutants of beta-catenin aren't phosphorylated
S45 mutants of beta-catenin aren't phosphorylated
T41 mutants of beta-catenin aren't phosphorylated
truncations of AMER1 destabilize the destruction complex

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