| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 7th, 2009 | 29 | Yes |
Popular Name: N-(2-aminophenyl)-6-[(3S)-3-benzylpiperazin-1-yl]pyridine-3-carboxamide N-(2-aminophenyl)-6-[(3S)-3-benz…
| 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) | 2.91 | 7.43 | -55.41 | 5 | 6 | 1 | 88 | 388.495 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.91 | 6.23 | -14.15 | 4 | 6 | 0 | 83 | 387.487 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.91 | 7.7 | -129.06 | 6 | 6 | 2 | 89 | 389.503 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HDAC1-1-E | Histone Deacetylase 1 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 301 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HDAC1_HUMAN | Q13547 | Histone Deacetylase 1, Human | 301 | 0.31 | Binding ≤ 1μM |
| HDAC1_HUMAN | Q13547 | Histone Deacetylase 1, Human | 301 | 0.31 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| 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 | |
| repression of WNT target genes | |
| RNA Polymerase I Transcription Initiation | |
| SMAD2/SMAD3:SMAD4 heterotrimer regulates transcription |
