UCSF

ZINC13603651

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 15 Yes

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) -0.26 1.76 -46.78 3 5 -1 99 203.177 1

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TNR16-1-E Low Affinity Neurotrophin Receptor P75NTR (cluster #1 Of 1), Eukaryotic Eukaryotes 3100 0.51 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TNR16_HUMAN P08138 Low Affinity Neurotrophin Receptor P75NTR, Human 3100 0.51 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Axonal growth inhibition (RHOA activation)
Axonal growth stimulation
Ceramide signalling
NADE modulates death signalling
NF-kB is activated and signals survival
NFG and proNGF binds to p75NTR
NRAGE signals death through JNK
NRIF signals cell death from the nucleus
p75NTR negatively regulates cell cycle via SC1
p75NTR recruits signalling complexes
Regulated proteolysis of p75NTR

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