UCSF

ZINC04127238

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 12 No

Popular Name: 6-Nitro-1H-indazole 6-Nitro-1H-indazole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 65750-02-9 , 7597-18-4 , [7597-18-4]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 1.56 3.89 -7.73 1 5 0 75 163.136 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 179-182? Alfa-Aesar
Melting_Point 179-182° Alfa-Aesar
MP 180 - 182 Enamine Building Blocks
MP 180...182 Enamine Building Blocks
MP 182 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0045480A1; EP0060118A1; EP0215670A2; EP0227241A2; EP0227241B1; EP0237256A2; EP0238271A2; EP0238271B1; EP0291743A1; EP0291743B1; EP0306833A2; EP0306833B1; EP0316864A2; EP0324391A2; EP0335319A2; EP0335319B1; EP0358165A2; EP0393711A2; EP0393711B1; EP039372 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NOS3-6-E Nitric Oxide Synthase, Endothelial (cluster #6 Of 7), Eukaryotic Eukaryotes 2500 0.65 Binding ≤ 10μM
Q9BDP5-1-E Inducible Nitric Oxide Synthase (cluster #1 Of 1), Eukaryotic Eukaryotes 2500 0.65 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q9BDP5_BOVIN Q9BDP5 Inducible Nitric Oxide Synthase, Bovin 2500 0.65 Binding ≤ 10μM
NOS3_BOVIN P29473 Nitric-oxide Synthase, Endothelial, Bovin 2500 0.65 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Nitric oxide stimulates guanylate cyclase
Phagosomal maturation (early endosomal stage)

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

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