| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2007 | 16 | Yes |
Popular Name: DIMETHYL-(4,5,6,7-TETRABROMO-1H-BENZOIMIDAZOL-2-YL)-AMINE DIMETHYL-(4,5,6,7-TETRABROMO-1H-…
| 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) | 4.85 | 8.43 | -5.86 | 1 | 3 | 0 | 32 | 476.792 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 5.65e-03 g/l | DrugBank-experimental |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCNA1-3-E | Cyclin A1 (cluster #3 Of 3), Eukaryotic | Eukaryotes | 2380 | 0.49 | Binding ≤ 10μM |
| CCNA2-3-E | Cyclin A2 (cluster #3 Of 3), Eukaryotic | Eukaryotes | 2380 | 0.49 | Binding ≤ 10μM |
| CDK2-5-E | Cyclin-dependent Kinase 2 (cluster #5 Of 5), Eukaryotic | Eukaryotes | 2380 | 0.49 | Binding ≤ 10μM |
| CSK21-3-E | Casein Kinase II Alpha (cluster #3 Of 3), Eukaryotic | Eukaryotes | 5790 | 0.46 | Binding ≤ 10μM |
| CSK22-2-E | Casein Kinase II Alpha (prime) (cluster #2 Of 2), Eukaryotic | Eukaryotes | 5790 | 0.46 | Binding ≤ 10μM |
| CSK2B-2-E | Casein Kinase II Beta (cluster #2 Of 3), Eukaryotic | Eukaryotes | 5790 | 0.46 | Binding ≤ 10μM |
| DYR1A-2-E | Dual Specificity Tyrosine-phosphorylation-regulated Kinase 1A (cluster #2 Of 3), Eukaryotic | Eukaryotes | 120 | 0.61 | Binding ≤ 10μM |
| KPBB-2-E | Phosphorylase Kinase Beta Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 7040 | 0.45 | Binding ≤ 10μM |
| PHKG1-2-E | Phosphorylase Kinase Gamma Subunit 1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 7040 | 0.45 | Binding ≤ 10μM |
| PHKG2-2-E | Phosphorylase Kinase Gamma Subunit 2 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 7040 | 0.45 | Binding ≤ 10μM |
| SGK1-2-E | Serine/threonine-protein Kinase Sgk1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 3570 | 0.48 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CSK21_HUMAN | P68400 | Casein Kinase II Alpha, Human | 140 | 0.60 | Binding ≤ 1μM |
| CSK22_HUMAN | P19784 | Casein Kinase II Alpha (prime), Human | 140 | 0.60 | Binding ≤ 1μM |
| CSK2B_HUMAN | P67870 | Casein Kinase II Beta, Human | 140 | 0.60 | Binding ≤ 1μM |
| DYR1A_HUMAN | Q13627 | Dual-specificity Tyrosine-phosphorylation Regulated Kinase 1A, Human | 120 | 0.61 | Binding ≤ 1μM |
| CSK21_HUMAN | P68400 | Casein Kinase II Alpha, Human | 140 | 0.60 | Binding ≤ 10μM |
| CSK22_HUMAN | P19784 | Casein Kinase II Alpha (prime), Human | 140 | 0.60 | Binding ≤ 10μM |
| CSK2B_HUMAN | P67870 | Casein Kinase II Beta, Human | 140 | 0.60 | Binding ≤ 10μM |
| CCNA1_HUMAN | P78396 | Cyclin A1, Human | 2380 | 0.49 | Binding ≤ 10μM |
| CCNA2_HUMAN | P20248 | Cyclin A2, Human | 2380 | 0.49 | Binding ≤ 10μM |
| CDK2_HUMAN | P24941 | Cyclin-dependent Kinase 2, Human | 2380 | 0.49 | Binding ≤ 10μM |
| DYR1A_HUMAN | Q13627 | Dual-specificity Tyrosine-phosphorylation Regulated Kinase 1A, Human | 120 | 0.61 | Binding ≤ 10μM |
| KPBB_HUMAN | Q93100 | Phosphorylase Kinase Beta Subunit, Human | 7040 | 0.45 | Binding ≤ 10μM |
| PHKG1_HUMAN | Q16816 | Phosphorylase Kinase Gamma Subunit 1, Human | 7040 | 0.45 | Binding ≤ 10μM |
| PHKG2_HUMAN | P15735 | Phosphorylase Kinase Gamma Subunit 2, Human | 7040 | 0.45 | Binding ≤ 10μM |
| SGK1_HUMAN | O00141 | Serine/threonine-protein Kinase Sgk1, Human | 3570 | 0.48 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of ATR in response to replication stress | |
| Activation of the pre-replicative complex | |
| CDK-mediated phosphorylation and removal of Cdc6 | |
| Condensation of Prometaphase Chromosomes | |
| 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 | |
| G0 and Early G1 | |
| G1/S-Specific Transcription | |
| G2 Phase | |
| Glycogen breakdown (glycogenolysis) | |
| Meiotic recombination | |
| Orc1 removal from chromatin | |
| p53-Dependent G1 DNA Damage Response | |
| Phosphorylation of proteins involved in G1/S transition by active Cyclin E:Cdk2 | |
| Phosphorylation of proteins involved in the G2/M transition by Cyclin A:Cdc2 com | |
| Regulation of APC/C activators between G1/S and early anaphase | |
| SCF(Skp2)-mediated degradation of p27/p21 | |
| Senescence-Associated Secretory Phenotype (SASP) | |
| Signal transduction by L1 | |
| Stimuli-sensing channels | |
| WNT mediated activation of DVL |
No pre-computed analogs available. Try a structural similarity search.