| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 4th, 2006 | 44 | No |
Popular Name: phorbol 13-acetate 12-myristate phorbol 13-acetate 12-myristate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 16561-29-8 , [16561-29-8]
| 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) | 7.90 | -0.27 | -13.22 | 3 | 8 | 0 | 130 | 616.836 | 17 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| UniProt Database Links | 4F2_HUMAN; ABC3B_HUMAN; ADA15_HUMAN; ADA17_HUMAN; ADA17_MOUSE; ADA17_RAT; APR_HUMAN; AREG_HUMAN; CCL18_HUMAN; CCL1_HUMAN; CCL20_HUMAN; CDO1_HUMAN; CHP3_HUMAN; DAPK1_HUMAN; DAPK1_MOUSE; ELF3_HUMAN; GDNF_MOUSE; GLRX3_BOVIN; GLRX3_HUMAN; GLRX3_MOUSE; GLRX3_R | ChEBI |
| Patent Database Links | EP1533383; EP1649857; EP1712563; EP1839675; US2007212767; US2008275023; WO2006097460; WO2007099151 | ChEBI |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| P phrase | P302 + P352: IF ON SKIN: Wash with plenty of soap and water | Acros Organics |
| P phrase | P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if presen | Acros Organics |
| R phrase | R21: Harmful in contact with skin. | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S36/37: Wear suitable protective clothing and gloves. | Acros Organics |
| Therapy | tumor promoter, PKC activator | SMDC MicroSource |
| Hazard | XI: Irritant | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KPCA-2-E | Protein Kinase C Alpha (cluster #2 Of 6), Eukaryotic | Eukaryotes | 6 | 0.26 | Binding ≤ 10μM |
| KPCB-1-E | Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic | Eukaryotes | 2 | 0.28 | Binding ≤ 10μM |
| KPCD-2-E | Protein Kinase C Delta (cluster #2 Of 4), Eukaryotic | Eukaryotes | 5170 | 0.17 | Binding ≤ 10μM |
| KPCE-2-E | Protein Kinase C Epsilon (cluster #2 Of 5), Eukaryotic | Eukaryotes | 5560 | 0.17 | Binding ≤ 10μM |
| KPCG-1-E | Protein Kinase C Gamma (cluster #1 Of 4), Eukaryotic | Eukaryotes | 5 | 0.26 | Binding ≤ 10μM |
| KPCT-2-E | Protein Kinase C Theta (cluster #2 Of 3), Eukaryotic | Eukaryotes | 3190 | 0.17 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KPCA_HUMAN | P17252 | Protein Kinase C Alpha, Human | 2.5 | 0.27 | Binding ≤ 1μM |
| KPCB_HUMAN | P05771 | Protein Kinase C Beta, Human | 1.8 | 0.28 | Binding ≤ 1μM |
| KPCD_HUMAN | Q05655 | Protein Kinase C Delta, Human | 0.8 | 0.29 | Binding ≤ 1μM |
| KPCE_HUMAN | Q02156 | Protein Kinase C Epsilon, Human | 0.45 | 0.30 | Binding ≤ 1μM |
| KPCG_HUMAN | P05129 | Protein Kinase C Gamma, Human | 4.9 | 0.26 | Binding ≤ 1μM |
| KPCA_HUMAN | P17252 | Protein Kinase C Alpha, Human | 2.5 | 0.27 | Binding ≤ 10μM |
| KPCB_HUMAN | P05771 | Protein Kinase C Beta, Human | 1.8 | 0.28 | Binding ≤ 10μM |
| KPCD_HUMAN | Q05655 | Protein Kinase C Delta, Human | 0.8 | 0.29 | Binding ≤ 10μM |
| KPCE_HUMAN | Q02156 | Protein Kinase C Epsilon, Human | 0.45 | 0.30 | Binding ≤ 10μM |
| KPCG_HUMAN | P05129 | Protein Kinase C Gamma, Human | 4.9 | 0.26 | Binding ≤ 10μM |
| KPCT_HUMAN | Q04759 | Protein Kinase C Theta, Human | 3190 | 0.17 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Acetylcholine regulates insulin secretion | |
| Activation of NF-kappaB in B cells | |
| Apoptotic cleavage of cellular proteins | |
| Ca2+ pathway | |
| Calmodulin induced events | |
| DAG and IP3 signaling | |
| Depolymerisation of the Nuclear Lamina | |
| Disinhibition of SNARE formation | |
| Downstream TCR signaling | |
| Effects of PIP2 hydrolysis | |
| EGFR Transactivation by Gastrin | |
| FCERI mediated NF-kB activation | |
| G alpha (z) signalling events | |
| HuR stabilizes mRNA | |
| Inactivation, recovery and regulation of the phototransduction cascade | |
| Interferon gamma signaling | |
| Netrin-1 signaling | |
| Regulation of KIT signaling | |
| Response to elevated platelet cytosolic Ca2+ | |
| Role of phospholipids in phagocytosis | |
| Signaling by SCF-KIT | |
| Syndecan interactions | |
| Trafficking of GluR2-containing AMPA receptors | |
| VEGFR2 mediated cell proliferation | |
| WNT5A-dependent internalization of FZD4 |
