UCSF

ZINC01694070

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2005 26 Yes

CAS Number: 6964-62-1

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) 4.71 -1.48 -10.34 2 3 0 45 340.426 4
Lo Low (pH 4.5-6) 4.71 -1.34 -32.85 3 3 1 46 341.434 4

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MDM2-1-E P53-binding Protein Mdm-2 (cluster #1 Of 1), Eukaryotic Eukaryotes 120 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MDM2_HUMAN Q00987 P53-binding Protein Mdm-2, Human 120 0.37 Binding ≤ 1μM
MDM2_HUMAN Q00987 P53-binding Protein Mdm-2, Human 120 0.37 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
AKT phosphorylates targets in the cytosol
Constitutive PI3K/AKT Signaling in Cancer
Oncogene Induced Senescence
Oxidative Stress Induced Senescence
Stabilization of p53
Trafficking of AMPA receptors

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