| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 20 | No |
Popular Name: (5Z)-3-(2-aminoethyl)-5-[(4-ethoxyphenyl)methylene]thiazolidine-2,4-dione (5Z)-3-(2-aminoethyl)-5-[(4-etho…
| 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) | 0.79 | 3.75 | -45.89 | 3 | 5 | 1 | 76 | 293.368 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.79 | 3.36 | -7.92 | 2 | 5 | 0 | 74 | 292.36 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AOFA-2-E | Monoamine Oxidase A (cluster #2 Of 8), Eukaryotic | Eukaryotes | 1040 | 0.42 | Binding ≤ 10μM |
| AOFB-4-E | Monoamine Oxidase B (cluster #4 Of 8), Eukaryotic | Eukaryotes | 82 | 0.50 | Binding ≤ 10μM |
| MK01-1-E | Mitogen-activated Protein Kinase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5000 | 0.37 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AOFB_HUMAN | P27338 | Monoamine Oxidase B, Human | 82 | 0.50 | Binding ≤ 1μM |
| MK01_HUMAN | P28482 | MAP Kinase ERK2, Human | 5000 | 0.37 | Binding ≤ 10μM |
| AOFA_HUMAN | P21397 | Monoamine Oxidase A, Human | 1040 | 0.42 | Binding ≤ 10μM |
| AOFB_HUMAN | P27338 | Monoamine Oxidase B, Human | 82 | 0.50 | 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 | |
| Enzymatic degradation of dopamine by COMT | |
| Enzymatic degradation of Dopamine by monoamine oxidase | |
| 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 | |
| Metabolism of serotonin | |
| Monoamines are oxidized to aldehydes by MAOA and MAOB, producing NH3 and H2O2 | |
| NCAM signaling for neurite out-growth | |
| Negative regulation of FGFR signaling | |
| Norepinephrine Neurotransmitter Release Cycle | |
| Oncogene Induced Senescence | |
| Oxidative Stress Induced Senescence | |
| phospho-PLA2 pathway | |
| 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) |
No pre-computed analogs available. Try a structural similarity search.