UCSF

ZINC03816287

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 28 Yes

Popular Name: Axitinib Axitinib

Find On: PubMed — Wikipedia — Google

CAS Number: 319460-85-0

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) 3.98 8.98 -14.29 2 5 0 71 386.48 5 ↓
Ref Reference (pH 7) 4.05 7.14 -33.97 3 5 1 76 387.488 5 ↓
Mid Mid (pH 6-8) 4.05 7.23 -34.45 3 5 1 76 387.488 5 ↓
Mid Mid (pH 6-8) 4.05 7.1 -14.58 2 5 0 74 386.48 5 ↓
Mid Mid (pH 6-8) 4.05 7.19 -12.1 2 5 0 74 386.48 5 ↓

Vendor Notes

Note Type Comments Provided By
Target VEGFR, PDGFR, c-Kit Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
VGFR2-1-E Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
VGFR2_HUMAN P35968 Vascular Endothelial Growth Factor Receptor 2, Human 0.25 0.48 Binding ≤ 1μM
VGFR2_HUMAN P35968 Vascular Endothelial Growth Factor Receptor 2, Human 0.25 0.48 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
EPHA-mediated growth cone collapse
Integrin cell surface interactions
Neurophilin interactions with VEGF and VEGFR
VEGF binds to VEGFR leading to receptor dimerization
VEGFA-VEGFR2 Pathway
VEGFR2 mediated cell proliferation

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