UCSF

ZINC49018631

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 38 Yes

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) 3.94 13.76 -49.4 3 8 1 87 508.65 7
Mid Mid (pH 6-8) 3.94 13.64 -52.4 3 8 1 87 508.65 7
Mid Mid (pH 6-8) 3.94 11.39 -14.78 2 8 0 86 507.642 7

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KIT-1-E Stem Cell Growth Factor Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 43 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KIT_HUMAN P10721 Stem Cell Growth Factor Receptor, Human 43 0.27 Binding ≤ 1μM
KIT_HUMAN P10721 Stem Cell Growth Factor Receptor, Human 43 0.27 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Constitutive PI3K/AKT Signaling in Cancer
PIP3 activates AKT signaling
Regulation of KIT signaling
Signaling by SCF-KIT

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