| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 20 | Yes |
Popular Name: CI-994 CI-994
Find On: PubMed — Wikipedia — Google
CAS Numbers: 112522-64-2 , [112522-64-2]
112522-64-2; D05988; Tacedinaline (USAN/INN)
4-Acetamido-N-(2-aminophenyl)benzamide
| 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) | 1.48 | -2.38 | -13.84 | 4 | 5 | 0 | 84 | 269.304 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | HDAC | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HDAC1-1-E | Histone Deacetylase 1 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 900 | 0.42 | Binding ≤ 10μM |
| HDAC2-2-E | Histone Deacetylase 2 (cluster #2 Of 4), Eukaryotic | Eukaryotes | 900 | 0.42 | Binding ≤ 10μM |
| HDAC3-1-E | Histone Deacetylase 3 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 550 | 0.44 | Binding ≤ 10μM |
| Z80928-3-O | HCT-116 (Colon Carcinoma Cells) (cluster #3 Of 9), Other | Other | 4000 | 0.38 | Functional ≤ 10μM |
| Z81170-5-O | LNCaP (Prostate Carcinoma) (cluster #5 Of 5), Other | Other | 7400 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HDAC1_HUMAN | Q13547 | Histone Deacetylase 1, Human | 50 | 0.51 | Binding ≤ 1μM |
| HDAC2_HUMAN | Q92769 | Histone Deacetylase 2, Human | 190 | 0.47 | Binding ≤ 1μM |
| HDAC3_HUMAN | O15379 | Histone Deacetylase 3, Human | 550 | 0.44 | Binding ≤ 1μM |
| HDAC1_HUMAN | Q13547 | Histone Deacetylase 1, Human | 50 | 0.51 | Binding ≤ 10μM |
| HDAC2_HUMAN | Q92769 | Histone Deacetylase 2, Human | 190 | 0.47 | Binding ≤ 10μM |
| HDAC3_HUMAN | O15379 | Histone Deacetylase 3, Human | 1200 | 0.41 | Binding ≤ 10μM |
| Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 4000 | 0.38 | Functional ≤ 10μM |
| Z81170 | Z81170 | LNCaP (Prostate Carcinoma) | 7400 | 0.36 | 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 | |
| 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 |
