Spiroindimicin B
| Internal ID | b1274f7f-7cc1-4839-a013-ba2acb982a1b |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles |
| IUPAC Name | methyl (3R)-4',5-dichloro-1-methylspiro[2H-indole-3,10'-8,13-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2(7),3,5,11,14-hexaene]-12'-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H17Cl2N3O2/c1-28-10-23(15-8-12(25)4-6-17(15)28)19-14(9-26-20(19)22(29)30-2)18-13-7-11(24)3-5-16(13)27-21(18)23/h3-9,26-27H,10H2,1-2H3/t23-/m1/s1 |
| InChI Key | FEZAUMRIJDPBGI-HSZRJFAPSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C23H17Cl2N3O2 |
| Molecular Weight | 438.30 g/mol |
| Exact Mass | 437.0697822 g/mol |
| Topological Polar Surface Area (TPSA) | 61.10 Ų |
| XlogP | 5.30 |
| methyl (3R)-4',5-dichloro-1-methylspiro[2H-indole-3,10'-8,13-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2(7),3,5,11,14-hexaene]-12'-carboxylate |
| Methyl (3R)-4',5-dichloro-1-methyl-1,2-dihydro-8',13'-diazaspiro(indole-3,10'-tetracyclo(7.6.0.0,.0,)pentadecane)-1'(9'),2'(7'),3',5',11',14'-hexaene-12'-carboxylic acid |
| Methyl (3R)-4',5-dichloro-1-methyl-1,2-dihydro-8',13'-diazaspiro[indole-3,10'-tetracyclo[7.6.0.0,.0,]pentadecane]-1'(9'),2'(7'),3',5',11',14'-hexaene-12'-carboxylic acid |
| methyl (3R)-4',5-dichloro-1-methylspiro(2H-indole-3,10'-8,13-diazatetracyclo(7.6.0.02,7.011,15)pentadeca-1(9),2(7),3,5,11,14-hexaene)-12'-carboxylate |
| RefChem:184871 |
| CHEMBL5410584 |
| CHEBI:209034 |
| 1380717-82-7 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.95% | 94.45% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 98.65% | 95.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.97% | 96.09% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 95.21% | 86.92% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.56% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 94.27% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.41% | 98.95% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 92.98% | 96.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 92.98% | 90.24% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 91.99% | 93.03% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.37% | 98.75% |
| CHEMBL240 | Q12809 | HERG | 91.02% | 89.76% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.29% | 94.00% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 87.49% | 92.67% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.15% | 96.77% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 87.02% | 95.56% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 86.64% | 85.00% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 86.27% | 97.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.80% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.32% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.61% | 95.56% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 83.98% | 100.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.86% | 83.82% |
| CHEMBL1293289 | P25440 | Bromodomain-containing protein 2 | 83.66% | 86.19% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 83.32% | 95.62% |
| CHEMBL3085 | P43003 | Excitatory amino acid transporter 1 | 81.78% | 94.67% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 81.22% | 83.00% |
| CHEMBL5028 | O14672 | ADAM10 | 81.02% | 97.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.45% | 86.33% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.29% | 100.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.16% | 96.67% |
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| PubChem | 60166298 |
| LOTUS | LTS0122352 |
| wikiData | Q104994279 |