UCSF

ZINC14947181

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 35 No

Popular Name: DNC000145 DNC000145

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) -2.79 0.27 -115.63 5 14 -2 234 500.505 16 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CASP8-1-E Caspase-8 (cluster #1 Of 1), Eukaryotic Eukaryotes 4 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CASP8_HUMAN Q14790 Caspase-8, Human 4.2 0.34 Binding ≤ 1μM
CASP8_HUMAN Q14790 Caspase-8, Human 4.2 0.34 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation, myristolyation of BID and translocation to mitochondria
Apoptotic cleavage of cellular proteins
Apoptotic execution phase
Caspase-8 activation by cleavage
Caspase-mediated cleavage of cytoskeletal proteins
Dimerization of procaspase-8
FasL/ CD95L signaling
NF-kB activation through FADD/RIP-1 pathway mediated by caspase-8 and -10
NOD1/2 Signaling Pathway
Regulation by c-FLIP
TRAIL signaling
TRIF-mediated programmed cell death

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

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