UCSF

ZINC56824187

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2011 44 No

Popular Name: 1-[2-[(1R,2S,4S,5R)-2,4-diguanidino-5-[(4-guanidino-1-naphthyl)oxy]cyclohexoxy]-5-guanidino-phenyl]g 1-[2-[(1R,2S,4S,5R)-2,4-diguanid…

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Annotations

Vendors

    None

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) -0.41 6.2 -331.54 25 17 5 337 608.736 14 ↓
Hi High (pH 8-9.5) -0.54 5.86 -225.06 24 17 4 337 607.728 13 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FURIN-2-E Furin (cluster #2 Of 2), Eukaryotic Eukaryotes 404 0.20 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FURIN_HUMAN P09958 Furin, Human 404 0.20 Binding ≤ 1μM
FURIN_HUMAN P09958 Furin, Human 404 0.20 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of Matrix Metalloproteinases
Collagen degradation
Elastic fibre formation
NGF processing
Pre-NOTCH Processing in Golgi
Removal of aminoterminal propeptides from gamma-carboxylated proteins
Signaling by NODAL
Signaling by PDGF
Synthesis and processing of ENV and VPU
TGF-beta receptor signaling activates SMADs
Uptake and function of anthrax toxins

Rings

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

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