| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2004 | 30 | No |
3-[1-(3-Aminopropyl)-1h-Indol-3-Yl]-4-(1-Methyl-1h-Indol-3-Yl)-1h-Pyrrole-2,5-Dione
| 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) | 2.68 | -2.63 | -58.76 | 4 | 6 | 1 | 87 | 399.474 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 3.18e-02 g/l | DrugBank-experimental |
| Notes | Selective inhibitor of protein kinase C | Apollo Scientific Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KAPCA-1-E | CAMP-dependent Protein Kinase Alpha-catalytic Subunit (cluster #1 Of 4), Eukaryotic | Eukaryotes | 5200 | 0.25 | Binding ≤ 10μM |
| KAPCB-1-E | CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit (cluster #1 Of 3), Eukaryotic | Eukaryotes | 5200 | 0.25 | Binding ≤ 10μM |
| KCC2D-1-E | CaM Kinase II Delta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 310 | 0.30 | Binding ≤ 10μM |
| KPCA-1-E | Protein Kinase C Alpha (cluster #1 Of 6), Eukaryotic | Eukaryotes | 75 | 0.33 | Binding ≤ 10μM |
| KPCB-1-E | Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic | Eukaryotes | 75 | 0.33 | Binding ≤ 10μM |
| KPCD-1-E | Protein Kinase C Delta (cluster #1 Of 4), Eukaryotic | Eukaryotes | 75 | 0.33 | Binding ≤ 10μM |
| KPCE-1-E | Protein Kinase C Epsilon (cluster #1 Of 5), Eukaryotic | Eukaryotes | 75 | 0.33 | Binding ≤ 10μM |
| KPCG-1-E | Protein Kinase C Gamma (cluster #1 Of 4), Eukaryotic | Eukaryotes | 75 | 0.33 | Binding ≤ 10μM |
| KPCL-2-E | Protein Kinase C Eta (cluster #2 Of 4), Eukaryotic | Eukaryotes | 75 | 0.33 | Binding ≤ 10μM |
| KPCT-1-E | Protein Kinase C Theta (cluster #1 Of 3), Eukaryotic | Eukaryotes | 75 | 0.33 | Binding ≤ 10μM |
| KPCZ-1-E | Protein Kinase C Zeta (cluster #1 Of 5), Eukaryotic | Eukaryotes | 75 | 0.33 | Binding ≤ 10μM |
| PIM1-1-E | Serine/threonine-protein Kinase PIM1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 12 | 0.37 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCC2D_HUMAN | Q13557 | CaM Kinase II Delta, Human | 310 | 0.30 | Binding ≤ 1μM |
| KPCA_RAT | P05696 | Protein Kinase C Alpha, Rat | 75 | 0.33 | Binding ≤ 1μM |
| KPCB_RAT | P68403 | Protein Kinase C Beta, Rat | 75 | 0.33 | Binding ≤ 1μM |
| KPCD_RAT | P09215 | Protein Kinase C Delta, Rat | 75 | 0.33 | Binding ≤ 1μM |
| KPCE_RAT | P09216 | Protein Kinase C Epsilon, Rat | 75 | 0.33 | Binding ≤ 1μM |
| KPCL_RAT | Q64617 | Protein Kinase C Eta, Rat | 75 | 0.33 | Binding ≤ 1μM |
| KPCG_RAT | P63319 | Protein Kinase C Gamma, Rat | 75 | 0.33 | Binding ≤ 1μM |
| KPCT_RAT | Q9WTQ0 | Protein Kinase C Theta, Rat | 75 | 0.33 | Binding ≤ 1μM |
| KPCZ_RAT | P09217 | Protein Kinase C Zeta, Rat | 75 | 0.33 | Binding ≤ 1μM |
| PIM1_HUMAN | P11309 | Serine/threonine-protein Kinase PIM1, Human | 12 | 0.37 | Binding ≤ 1μM |
| KCC2D_HUMAN | Q13557 | CaM Kinase II Delta, Human | 310 | 0.30 | Binding ≤ 10μM |
| KAPCA_BOVIN | P00517 | CAMP-dependent Protein Kinase Alpha-catalytic Subunit, Bovin | 5200 | 0.25 | Binding ≤ 10μM |
| KAPCB_BOVIN | P05131 | CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit, Bovin | 5200 | 0.25 | Binding ≤ 10μM |
| KPCA_RAT | P05696 | Protein Kinase C Alpha, Rat | 75 | 0.33 | Binding ≤ 10μM |
| KPCB_RAT | P68403 | Protein Kinase C Beta, Rat | 75 | 0.33 | Binding ≤ 10μM |
| KPCD_RAT | P09215 | Protein Kinase C Delta, Rat | 75 | 0.33 | Binding ≤ 10μM |
| KPCE_RAT | P09216 | Protein Kinase C Epsilon, Rat | 75 | 0.33 | Binding ≤ 10μM |
| KPCL_RAT | Q64617 | Protein Kinase C Eta, Rat | 75 | 0.33 | Binding ≤ 10μM |
| KPCG_RAT | P63319 | Protein Kinase C Gamma, Rat | 75 | 0.33 | Binding ≤ 10μM |
| KPCT_RAT | Q9WTQ0 | Protein Kinase C Theta, Rat | 75 | 0.33 | Binding ≤ 10μM |
| KPCZ_RAT | P09217 | Protein Kinase C Zeta, Rat | 75 | 0.33 | Binding ≤ 10μM |
| PIM1_HUMAN | P11309 | Serine/threonine-protein Kinase PIM1, Human | 12 | 0.37 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of NF-kappaB in B cells | |
| Calmodulin induced events | |
| CREB phosphorylation through the activation of Adenylate Cyclase | |
| CREB phosphorylation through the activation of CaMKII | |
| CREB phosphorylation through the activation of Ras | |
| DARPP-32 events | |
| Depolymerisation of the Nuclear Lamina | |
| Disinhibition of SNARE formation | |
| Effects of PIP2 hydrolysis | |
| Factors involved in megakaryocyte development and platelet production | |
| G alpha (z) signalling events | |
| Glucagon-like Peptide-1 (GLP1) regulates insulin secretion | |
| Gluconeogenesis | |
| GPVI-mediated activation cascade | |
| Hormone-sensitive lipase (HSL)-mediated triacylglycerol hydrolysis | |
| HSF1-dependent transactivation | |
| Interferon gamma signaling | |
| Interleukin-3, 5 and GM-CSF signaling | |
| Loss of Nlp from mitotic centrosomes | |
| Loss of proteins required for interphase microtubule organization from the ce | |
| PKA activation | |
| PKA activation in glucagon signalling | |
| PKA-mediated phosphorylation of CREB | |
| PKA-mediated phosphorylation of key metabolic factors | |
| Rap1 signalling | |
| Ras activation uopn Ca2+ infux through NMDA receptor | |
| Recruitment of mitotic centrosome proteins and complexes | |
| Regulation of insulin secretion | |
| Regulation of PLK1 Activity at G2/M Transition | |
| Response to elevated platelet cytosolic Ca2+ | |
| TGF-beta receptor signaling in EMT (epithelial to mesenchymal transition) | |
| Trafficking of AMPA receptors | |
| Trafficking of GluR2-containing AMPA receptors | |
| Unblocking of NMDA receptor, glutamate binding and activation | |
| Vasopressin regulates renal water homeostasis via Aquaporins | |
| VEGFR2 mediated cell proliferation | |
| WNT5A-dependent internalization of FZD4 |
