| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2005 | 22 | No |
414864-00-9; Belinostat (USAN/INN); D08870
| 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) | 2.19 | 2.64 | -20.95 | 3 | 6 | 0 | 95 | 318.354 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.19 | 2.69 | -59.56 | 2 | 6 | -1 | 98 | 317.346 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.19 | 3.91 | -108.48 | 1 | 6 | -2 | 100 | 316.338 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | HDAC | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HDA10-3-E | Histone Deacetylase 10 (cluster #3 Of 3), Eukaryotic | Eukaryotes | 59 | 0.46 | Binding ≤ 10μM |
| HDA11-1-E | Histone Deacetylase 11 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 27 | 0.48 | Binding ≤ 10μM |
| HDAC1-2-E | Histone Deacetylase 1 (cluster #2 Of 4), Eukaryotic | Eukaryotes | 63 | 0.46 | Binding ≤ 10μM |
| HDAC2-2-E | Histone Deacetylase 2 (cluster #2 Of 4), Eukaryotic | Eukaryotes | 22 | 0.49 | Binding ≤ 10μM |
| HDAC3-1-E | Histone Deacetylase 3 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 46 | 0.47 | Binding ≤ 10μM |
| HDAC4-3-E | Histone Deacetylase 4 (cluster #3 Of 3), Eukaryotic | Eukaryotes | 380 | 0.41 | Binding ≤ 10μM |
| HDAC5-3-E | Histone Deacetylase 5 (cluster #3 Of 3), Eukaryotic | Eukaryotes | 25 | 0.48 | Binding ≤ 10μM |
| HDAC6-1-E | Histone Deacetylase 6 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 15 | 0.50 | Binding ≤ 10μM |
| HDAC7-1-E | Histone Deacetylase 7 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 75 | 0.45 | Binding ≤ 10μM |
| HDAC8-2-E | Histone Deacetylase 8 (cluster #2 Of 4), Eukaryotic | Eukaryotes | 25 | 0.48 | Binding ≤ 10μM |
| HDAC9-1-E | Histone Deacetylase 9 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 250 | 0.42 | Binding ≤ 10μM |
| Z80390-1-O | PC-3 (Prostate Carcinoma Cells) (cluster #1 Of 10), Other | Other | 450 | 0.40 | Functional ≤ 10μM |
| Z80928-3-O | HCT-116 (Colon Carcinoma Cells) (cluster #3 Of 9), Other | Other | 600 | 0.40 | Functional ≤ 10μM |
| Z81034-3-O | A2780 (Ovarian Carcinoma Cells) (cluster #3 Of 10), Other | Other | 670 | 0.39 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HDAC1_HUMAN | Q13547 | Histone Deacetylase 1, Human | 0.85 | 0.58 | Binding ≤ 1μM |
| HDA10_HUMAN | Q969S8 | Histone Deacetylase 10, Human | 59 | 0.46 | Binding ≤ 1μM |
| HDA11_HUMAN | Q96DB2 | Histone Deacetylase 11, Human | 27 | 0.48 | Binding ≤ 1μM |
| HDAC2_HUMAN | Q92769 | Histone Deacetylase 2, Human | 0.85 | 0.58 | Binding ≤ 1μM |
| HDAC3_HUMAN | O15379 | Histone Deacetylase 3, Human | 1.5 | 0.56 | Binding ≤ 1μM |
| HDAC4_HUMAN | P56524 | Histone Deacetylase 4, Human | 15 | 0.50 | Binding ≤ 1μM |
| HDAC5_HUMAN | Q9UQL6 | Histone Deacetylase 5, Human | 175 | 0.43 | Binding ≤ 1μM |
| HDAC6_HUMAN | Q9UBN7 | Histone Deacetylase 6, Human | 1.6 | 0.56 | Binding ≤ 1μM |
| HDAC7_HUMAN | Q8WUI4 | Histone Deacetylase 7, Human | 51 | 0.46 | Binding ≤ 1μM |
| HDAC8_HUMAN | Q9BY41 | Histone Deacetylase 8, Human | 22 | 0.49 | Binding ≤ 1μM |
| HDAC9_HUMAN | Q9UKV0 | Histone Deacetylase 9, Human | 24 | 0.48 | Binding ≤ 1μM |
| HDAC1_HUMAN | Q13547 | Histone Deacetylase 1, Human | 0.85 | 0.58 | Binding ≤ 10μM |
| HDA10_HUMAN | Q969S8 | Histone Deacetylase 10, Human | 59 | 0.46 | Binding ≤ 10μM |
| HDA11_HUMAN | Q96DB2 | Histone Deacetylase 11, Human | 27 | 0.48 | Binding ≤ 10μM |
| HDAC2_HUMAN | Q92769 | Histone Deacetylase 2, Human | 0.85 | 0.58 | Binding ≤ 10μM |
| HDAC3_HUMAN | O15379 | Histone Deacetylase 3, Human | 1.5 | 0.56 | Binding ≤ 10μM |
| HDAC4_HUMAN | P56524 | Histone Deacetylase 4, Human | 15 | 0.50 | Binding ≤ 10μM |
| HDAC5_HUMAN | Q9UQL6 | Histone Deacetylase 5, Human | 175 | 0.43 | Binding ≤ 10μM |
| HDAC6_HUMAN | Q9UBN7 | Histone Deacetylase 6, Human | 1.6 | 0.56 | Binding ≤ 10μM |
| HDAC7_HUMAN | Q8WUI4 | Histone Deacetylase 7, Human | 51 | 0.46 | Binding ≤ 10μM |
| HDAC8_HUMAN | Q9BY41 | Histone Deacetylase 8, Human | 22 | 0.49 | Binding ≤ 10μM |
| HDAC9_HUMAN | Q9UKV0 | Histone Deacetylase 9, Human | 24 | 0.48 | Binding ≤ 10μM |
| Z81034 | Z81034 | A2780 (Ovarian Carcinoma Cells) | 670 | 0.39 | Functional ≤ 10μM |
| Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 160 | 0.43 | Functional ≤ 10μM |
| Z80390 | Z80390 | PC-3 (Prostate Carcinoma Cells) | 450 | 0.40 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| BMAL1:CLOCK,NPAS2 activates circadian gene expression | |
| Circadian Clock | |
| Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants | |
| Constitutive Signaling by NOTCH1 PEST Domain Mutants | |
| deactivation of the beta-catenin transactivating complex | |
| Downregulation of SMAD2/3:SMAD4 transcriptional activity | |
| Factors involved in megakaryocyte development and platelet production | |
| formation of the beta-catenin:TCF transactivating complex | |
| G0 and Early G1 | |
| HDACs deacetylate histones | |
| HSF1 activation | |
| NoRC negatively regulates rRNA expression | |
| NOTCH1 Intracellular Domain Regulates Transcription | |
| p75NTR negatively regulates cell cycle via SC1 | |
| PPARA activates gene expression | |
| Regulation of lipid metabolism by Peroxisome proliferator-activated receptor alp | |
| repression of WNT target genes | |
| REV-ERBA represses gene expression | |
| RNA Polymerase I Transcription Initiation | |
| RORA activates circadian gene expression | |
| SMAD2/SMAD3:SMAD4 heterotrimer regulates transcription | |
| Transcriptional activation of mitochondrial biogenesis | |
| Transcriptional regulation of white adipocyte differentiation |
