| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 23rd, 2006 | 20 | Yes |
Popular Name: 5-IODOTUBERCIDIN 5-IODOTUBERCIDIN
Find On: PubMed — Wikipedia — Google
CAS Numbers: 24386-93-4 , [24386-93-4]
| 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) | 0.08 | -2.65 | -12.74 | 5 | 8 | 0 | 127 | 392.153 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.08 | -6.77 | -32.71 | 6 | 8 | 1 | 128 | 393.161 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 3.61e+00 g/l | DrugBank-experimental |
| UniProt Database Links | ADK_CRIGR; ADK_MOUSE | ChEBI |
| Patent Database Links | WO2007117686 | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADK-1-E | Adenosine Kinase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 30 | 0.53 | Binding ≤ 10μM |
| ADK-1-E | Adenosine Kinase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 30 | 0.53 | Binding ≤ 10μM |
| MK01-1-E | Mitogen-activated Protein Kinase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 530 | 0.44 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADK_HUMAN | P55263 | Adenosine Kinase, Human | 30 | 0.53 | Binding ≤ 1μM |
| MK01_HUMAN | P28482 | MAP Kinase ERK2, Human | 530 | 0.44 | Binding ≤ 1μM |
| ADK_HUMAN | P55263 | Adenosine Kinase, Human | 30 | 0.53 | Binding ≤ 10μM |
| MK01_HUMAN | P28482 | MAP Kinase ERK2, Human | 530 | 0.44 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of the AP-1 family of transcription factors | |
| Advanced glycosylation endproduct receptor signaling | |
| CREB phosphorylation through the activation of Ras | |
| ERK/MAPK targets | |
| ERK2 activation | |
| ERKs are inactivated | |
| FCERI mediated MAPK activation | |
| Gastrin-CREB signalling pathway via PKC and MAPK | |
| Golgi Cisternae Pericentriolar Stack Reorganization | |
| Growth hormone receptor signaling | |
| NCAM signaling for neurite out-growth | |
| Negative regulation of FGFR signaling | |
| Oncogene Induced Senescence | |
| Oxidative Stress Induced Senescence | |
| phospho-PLA2 pathway | |
| Purine salvage | |
| Recycling pathway of L1 | |
| Regulation of actin dynamics for phagocytic cup formation | |
| Regulation of HSF1-mediated heat shock response | |
| RSK activation | |
| Senescence-Associated Secretory Phenotype (SASP) | |
| Signal attenuation | |
| Signal transduction by L1 | |
| Signaling by FGFR | |
| Thrombin signalling through proteinase activated receptors (PARs) |
