UCSF

ZINC14961821

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 18 Yes

Popular Name: 2-(2H-indazol-3-yl)-1H-1,3-benzodiazole 2-(2H-indazol-3-yl)-1H-1,3-benzo…

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CAS Number: 1097816-83-5

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) 3.11 5.68 -9.52 2 4 0 57 234.262 1 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.37e-01 g/l DrugBank-experimental
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FGFR1-1-E Fibroblast Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 1400 0.46 Binding ≤ 10μM
PGFRB-1-E Platelet-derived Growth Factor Receptor Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 3400 0.43 Binding ≤ 10μM
VGFR1-1-E Vascular Endothelial Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 720 0.48 Binding ≤ 10μM
VGFR2-2-E Vascular Endothelial Growth Factor Receptor 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 3300 0.43 Binding ≤ 10μM
Z80957-2-O HMEC (Microvascular Endothelial Cells) (cluster #2 Of 2), Other Other 5900 0.41 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
VGFR1_HUMAN P17948 Vascular Endothelial Growth Factor Receptor 1, Human 720 0.48 Binding ≤ 1μM
FGFR1_HUMAN P11362 Fibroblast Growth Factor Receptor 1, Human 1400 0.46 Binding ≤ 10μM
PGFRB_MOUSE P05622 Platelet-derived Growth Factor Receptor Beta, Mouse 3400 0.43 Binding ≤ 10μM
VGFR1_HUMAN P17948 Vascular Endothelial Growth Factor Receptor 1, Human 720 0.48 Binding ≤ 10μM
VGFR2_MOUSE P35918 Vascular Endothelial Growth Factor Receptor 2, Mouse 3300 0.43 Binding ≤ 10μM
Z80957 Z80957 HMEC (Microvascular Endothelial Cells) 5900 0.41 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Neurophilin interactions with VEGF and VEGFR
Signaling by activated point mutants of FGFR1
Signaling by FGFR mutants
VEGF binds to VEGFR leading to receptor dimerization

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