| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 25th, 2008 | 16 | No |
Popular Name: DNC006929 DNC006929
Find On: PubMed — Wikipedia — Google
CAS Numbers: 140651-18-9 , N/A
4-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenol
| 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) | 1.17 | -2.68 | -9.08 | 6 | 7 | 0 | 126 | 218.22 | 2 | ↓ |
| Ref Reference (pH 7) | 1.17 | -1.43 | -10.95 | 6 | 7 | 0 | 126 | 218.22 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.17 | -1.91 | -46.56 | 5 | 7 | -1 | 129 | 217.212 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.17 | -0.66 | -49.39 | 5 | 7 | -1 | 129 | 217.212 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.25 | 0.69 | -53.48 | 7 | 7 | 1 | 123 | 219.228 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.17 | -2.59 | -32.08 | 7 | 7 | 1 | 127 | 219.228 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.17 | -1.27 | -36.23 | 7 | 7 | 1 | 127 | 219.228 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 4.24e-01 g/l | DrugBank-experimental |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCNE1-2-E | G1/S-specific Cyclin E1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 3500 | 0.48 | Binding ≤ 10μM |
| CCNE2-2-E | G1/S-specific Cyclin E2 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 3500 | 0.48 | Binding ≤ 10μM |
| CCNT1-1-E | Cyclin T1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 350 | 0.56 | Binding ≤ 10μM |
| CDK2-4-E | Cyclin-dependent Kinase 2 (cluster #4 Of 5), Eukaryotic | Eukaryotes | 3500 | 0.48 | Binding ≤ 10μM |
| CDK9-2-E | Cyclin-dependent Kinase 9 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 350 | 0.56 | Binding ≤ 10μM |
| KS6B1-2-E | Ribosomal Protein S6 Kinase 1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 10000 | 0.44 | Binding ≤ 10μM |
| KS6B2-2-E | Ribosomal Protein S6 Kinase 2 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 10000 | 0.44 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCNT1_HUMAN | O60563 | Cyclin T1, Human | 350 | 0.56 | Binding ≤ 1μM |
| CDK9_HUMAN | P50750 | Cyclin-dependent Kinase 9, Human | 350 | 0.56 | Binding ≤ 1μM |
| CCNT1_HUMAN | O60563 | Cyclin T1, Human | 350 | 0.56 | Binding ≤ 10μM |
| CDK2_HUMAN | P24941 | Cyclin-dependent Kinase 2, Human | 3500 | 0.48 | Binding ≤ 10μM |
| CDK9_HUMAN | P50750 | Cyclin-dependent Kinase 9, Human | 350 | 0.56 | Binding ≤ 10μM |
| CCNE1_HUMAN | P24864 | G1/S-specific Cyclin E1, Human | 3500 | 0.48 | Binding ≤ 10μM |
| CCNE2_HUMAN | O96020 | G1/S-specific Cyclin E2, Human | 3500 | 0.48 | Binding ≤ 10μM |
| KS6B1_HUMAN | P23443 | Ribosomal Protein S6 Kinase 1, Human | 10000 | 0.44 | Binding ≤ 10μM |
| KS6B2_HUMAN | Q9UBS0 | Ribosomal Protein S6 Kinase 2, Human | 10000 | 0.44 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of ATR in response to replication stress | |
| Activation of the pre-replicative complex | |
| AKT phosphorylates targets in the nucleus | |
| CDK-mediated phosphorylation and removal of Cdc6 | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| Cyclin A/B1 associated events during G2/M transition | |
| Cyclin A:Cdk2-associated events at S phase entry | |
| Cyclin E associated events during G1/S transition | |
| DNA Damage/Telomere Stress Induced Senescence | |
| E2F mediated regulation of DNA replication | |
| Factors involved in megakaryocyte development and platelet production | |
| Formation of HIV elongation complex in the absence of HIV Tat | |
| Formation of HIV-1 elongation complex containing HIV-1 Tat | |
| Formation of RNA Pol II elongation complex | |
| G0 and Early G1 | |
| G1/S-Specific Transcription | |
| G2 Phase | |
| HIV elongation arrest and recovery | |
| Interactions of Tat with host cellular proteins | |
| Meiotic recombination | |
| Orc1 removal from chromatin | |
| p53-Dependent G1 DNA Damage Response | |
| Pausing and recovery of HIV elongation | |
| Pausing and recovery of Tat-mediated HIV elongation | |
| Phosphorylation of proteins involved in G1/S transition by active Cyclin E:Cdk2 | |
| Regulation of APC/C activators between G1/S and early anaphase | |
| RNA Polymerase II Pre-transcription Events | |
| RNA Polymerase II Transcription Elongation | |
| S6K1 signalling | |
| S6K1-mediated signalling | |
| SCF(Skp2)-mediated degradation of p27/p21 | |
| Senescence-Associated Secretory Phenotype (SASP) | |
| SMAD2/SMAD3:SMAD4 heterotrimer regulates transcription | |
| Tat-mediated elongation of the HIV-1 transcript | |
| Tat-mediated HIV elongation arrest and recovery |
No pre-computed analogs available. Try a structural similarity search.