| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 11th, 2008 | 40 | No |
Popular Name: Nutlin-3 Nutlin-3
Find On: PubMed — Wikipedia — Google
CAS Numbers: 548472-68-0 , 675576-97-3 , 675576-98-4
| 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) | 5.71 | 11.64 | -12.03 | 1 | 8 | 0 | 83 | 581.5 | 6 | ↓ |
| 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 | 90 | 0.25 | Binding ≤ 10μM |
| P53-2-E | Cellular Tumor Antigen P53 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1390 | 0.20 | Binding ≤ 10μM |
| MDM2-1-E | P53-binding Protein Mdm-2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1500 | 0.20 | Functional ≤ 10μM |
| Z81170-1-O | LNCaP (Prostate Carcinoma) (cluster #1 Of 5), Other | Other | 1500 | 0.20 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P53_HUMAN | P04637 | Cellular Tumor Antigen P53, Human | 1000 | 0.21 | Binding ≤ 1μM |
| MDM2_HUMAN | Q00987 | P53-binding Protein Mdm-2, Human | 1000 | 0.21 | Binding ≤ 1μM |
| P53_HUMAN | P04637 | Cellular Tumor Antigen P53, Human | 1000 | 0.21 | Binding ≤ 10μM |
| MDM2_HUMAN | Q00987 | P53-binding Protein Mdm-2, Human | 1000 | 0.21 | Binding ≤ 10μM |
| Z81170 | Z81170 | LNCaP (Prostate Carcinoma) | 1500 | 0.20 | Functional ≤ 10μM |
| MDM2_HUMAN | Q00987 | P53-binding Protein Mdm-2, Human | 1500 | 0.20 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activation of NOXA and translocation to mitochondria | |
| Activation of PUMA and translocation to mitochondria | |
| AKT phosphorylates targets in the cytosol | |
| Autodegradation of the E3 ubiquitin ligase COP1 | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| DNA Damage/Telomere Stress Induced Senescence | |
| Factors involved in megakaryocyte development and platelet production | |
| Formation of Senescence-Associated Heterochromatin Foci (SAHF) | |
| Oncogene Induced Senescence | |
| Oxidative Stress Induced Senescence | |
| Pre-NOTCH Transcription and Translation | |
| Stabilization of p53 | |
| Trafficking of AMPA receptors | |
| Transcriptional activation of cell cycle inhibitor p21 |
