Camptothecin Sodium
| Internal ID | bf973d93-0ef1-4118-9b40-3ce829d9258c |
| Taxonomy | Alkaloids and derivatives > Camptothecins |
| IUPAC Name | sodium;(2S)-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanoate |
| SMILES (Canonical) | CCC(C1=C(C(=O)N2CC3=CC4=CC=CC=C4N=C3C2=C1)CO)(C(=O)[O-])O.[Na+] |
| SMILES (Isomeric) | CC[C@](C1=C(C(=O)N2CC3=CC4=CC=CC=C4N=C3C2=C1)CO)(C(=O)[O-])O.[Na+] |
| InChI | InChI=1S/C20H18N2O5.Na/c1-2-20(27,19(25)26)14-8-16-17-12(9-22(16)18(24)13(14)10-23)7-11-5-3-4-6-15(11)21-17;/h3-8,23,27H,2,9-10H2,1H3,(H,25,26);/q;+1/p-1/t20-;/m0./s1 |
| InChI Key | HPSUBMDJBRNXKK-BDQAORGHSA-M |
| Popularity | 4 references in papers |
| Molecular Formula | C20H17N2NaO5 |
| Molecular Weight | 388.30 g/mol |
| Exact Mass | 388.10351593 g/mol |
| Topological Polar Surface Area (TPSA) | 114.00 Ų |
| XlogP | 0.00 |
| 25387-67-1 |
| 20(S)-Camptothecin sodium salt |
| Camptothecin sodium |
| Camptothecine sodium |
| 3L6CT9UWOM |
| SODIUM CAMPTOTHECINATE |
| 21,22-Secocamptothecin-21-oic acid, monosodium salt |
| INDOLIZINO(1,2-B)QUINOLINE-7-ACETIC ACID, .ALPHA.-ETHYL-9,11-DIHYDRO-.ALPHA.-HYDROXY-8-(HYDROXYMETHYL)-9-OXO-, MONOSODIUM SALT, (.ALPHA.S)- |
| INDOLIZINO(1,2-B)QUINOLINE-7-ACETIC ACID, .ALPHA.-ETHYL-9,11-DIHYDRO-.ALPHA.-HYDROXY-8-(HYDROXYMETHYL)-9-OXO-, MONOSODIUM SALT, (S)- |
| CAMPTOTHECIN, SODIUM SALT |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] |
3548.1 nM |
Potency |
PMID: 21256013
|
| CHEMBL3577 | P00352 | Aldehyde dehydrogenase 1A1 |
3162.3 nM |
Potency |
PMID: 18183025
|
| CHEMBL3356 | P05177 | Cytochrome P450 1A2 |
3162.28 nM |
AC50 |
PMID: 7153775
|
| CHEMBL340 | P08684 | Cytochrome P450 3A4 |
3162.3 nM 3162.3 nM |
Potency Potency |
PMID: 11858759
PMID: 19921834 |
| CHEMBL1781 | P11387 | DNA topoisomerase I |
12000 nM |
IC50 |
PMID: 25302529
|
| CHEMBL4159 | Q99714 | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein |
3162.3 nM 3162.3 nM |
Potency Potency |
PMID: 25600405
PMID: 25237727 |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha |
3162.3 nM 3162.3 nM |
Potency Potency |
via CMAUP
PMID: 19583252 |
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.26% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.51% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.31% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.27% | 96.09% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 91.05% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.26% | 94.00% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 90.10% | 97.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.09% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.14% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.44% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.54% | 89.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.07% | 91.11% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 81.58% | 98.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.24% | 93.99% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.42% | 99.17% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.35% | 96.67% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Camptotheca acuminata |
| PubChem | 23705698 |
| NPASS | NPC470003 |
| ChEMBL | CHEMBL164269 |