UCSF

ZINC03787086

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 27 Yes

Popular Name: PD 90780 PD 90780

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CAS Number: 77422-99-2

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) 2.29 -0.21 -62.66 1 8 -1 108 361.337 3 ↓

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 200 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TNR16_HUMAN P08138 Low Affinity Neurotrophin Receptor P75NTR, Human 200 0.35 Binding ≤ 1μM
TNR16_HUMAN P08138 Low Affinity Neurotrophin Receptor P75NTR, Human 200 0.35 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% )

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