UCSF

ZINC56824192

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2011 36 Yes

Popular Name: 1-[6-[(1R,2S,4S,5R)-2,4-diguanidino-5-[(5-guanidino-2-pyridyl)oxy]cyclohexoxy]-3-pyridyl]guanidine 1-[6-[(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) -1.84 0.77 -215.86 20 16 4 299 502.588 12 ↓
Hi High (pH 8-9.5) -1.97 0.23 -101.11 18 16 2 298 500.572 11 ↓
Mid Mid (pH 6-8) -1.97 0.25 -148 19 16 3 300 501.58 11 ↓

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 42 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FURIN_HUMAN P09958 Furin, Human 42 0.29 Binding ≤ 1μM
FURIN_HUMAN P09958 Furin, Human 42 0.29 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.