In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2010 | 24 | Yes |
Popular Name: N-(2-aminophenyl)-6-[(1R,4R)-6,8-diazabicyclo[2.2.2]octan-8-yl]pyridine-3-carboxamide N-(2-aminophenyl)-6-[(1R,4R)-6,8…
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) | 1.49 | 5.05 | -52.35 | 5 | 6 | 1 | 88 | 324.408 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.49 | 3.77 | -9.89 | 4 | 6 | 0 | 83 | 323.4 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.49 | 5.53 | -106.45 | 6 | 6 | 2 | 89 | 325.416 | 3 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
HDAC1-1-E | Histone Deacetylase 1 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 405 | 0.37 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
HDAC1_HUMAN | Q13547 | Histone Deacetylase 1, Human | 405 | 0.37 | Binding ≤ 1μM |
HDAC1_HUMAN | Q13547 | Histone Deacetylase 1, Human | 405 | 0.37 | 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 |