KNApSAcK Metabolite C00044733
Metabolite
KNApSAcK Entry
| id | C00044733 |
|---|---|
| Name | Ecteinascidin 743 / (-)-Ecteinascidin 743 |
| CAS RN | 114899-77-3 |
| Standard InChI | InChI=1S/C39H43N3O11S/c1-16-9-20-10-22-37(46)42-23-13-50-38(47)39(21-12-25(48-5)24(44)11-19(21)7-8-40-39)14-54-36(30(42)29(41(22)4)26(20)31(45)32(16)49-6)28-27(23)35-34(51-15-52-35)17(2)33(28)53-18(3)43/h9,11-12,22-23,29-30,36-37,40,44-46H,7-8,10,13-15H2,1-6H3/t22-,23-,29+,30+,36+,37-,39+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C39H43N3O11S/c1-16-9-20-10-22-37(46)42-23-13-50-38(47)39(21-12-25(48-5)24(44)11-19(21)7-8-40-39)14-54-36(30(42)29(41(22)4)26(20)31(45)32(16)49-6)28-27(23)35-34(51-15-52-35)17(2)33(28)53-18(3)43/h9,11-12,22-23,29-30,36-37,40,44-46H,7-8,10,13-15H2,1-6H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 3791 |
Link
ChEMBL
| By standard InChI | CHEMBL450449 |
|---|---|
| By standard InChI Main Layer | CHEMBL450449 CHEMBL297812 CHEMBL1224207 CHEMBL1522262 |
KEGG
| By LinkDB | C16875 |
|---|
CTD
| By CAS RN | C099150 |
|---|
Species
Summary
Plant class
| class name | count |
|---|
Family
| family name | count |
|---|---|
| Perophoridae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Ecteinascidia turbinata | 284476 | Perophoridae | Metazoa |
Human Protein / Gene in interaction
8 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| O75469 | Nuclear receptor subfamily 1 group I member 2 | NR1I2 | CHEMBL450449 |
CHEMBL1743249
(1)
|
0 / 0 |
| P54132 | Bloom syndrome protein | Enzyme | CHEMBL1522262 |
CHEMBL1614067
(1)
|
1 / 2 |
| P11473 | Vitamin D3 receptor | NR1I1 | CHEMBL1522262 |
CHEMBL1794311
(1)
|
2 / 3 |
| P42858 | Huntingtin | Unclassified protein | CHEMBL1522262 |
CHEMBL1613918
(1)
|
1 / 1 |
| O94782 | Ubiquitin carboxyl-terminal hydrolase 1 | Enzyme | CHEMBL1522262 |
CHEMBL1794467
(1)
|
0 / 0 |
| P12931 | Proto-oncogene tyrosine-protein kinase Src | Src | CHEMBL1224207 |
CHEMBL905921
(1)
|
0 / 0 |
| Q96KQ7 | Histone-lysine N-methyltransferase EHMT2 | Enzyme | CHEMBL1522262 |
CHEMBL1738442
(1)
|
0 / 0 |
| O94925 | Glutaminase kidney isoform, mitochondrial | Enzyme | CHEMBL1522262 |
CHEMBL2114738
(2)
|
0 / 0 |
CTD interaction (7)
| compound | gene | gene name | gene description | interaction | interaction type | form |
reference
pmid |
|---|---|---|---|---|---|---|---|
| C099150 | 890 |
CCNA2
CCN1 CCNA |
cyclin A2 | trabectedin results in decreased expression of CCNA2 mRNA |
decreases expression
|
mRNA |
15961672
|
| C099150 | 891 |
CCNB1
CCNB |
cyclin B1 | trabectedin results in decreased expression of CCNB1 mRNA |
decreases expression
|
mRNA |
15961672
|
| C099150 | 9133 |
CCNB2
HsT17299 |
cyclin B2 | trabectedin results in decreased expression of CCNB2 mRNA |
decreases expression
|
mRNA |
15961672
|
| C099150 | 1869 |
E2F1
E2F-1 RBAP1 RBBP3 RBP3 |
E2F transcription factor 1 | trabectedin results in increased expression of E2F1 mRNA |
increases expression
|
mRNA |
15961672
|
| C099150 | 2475 |
MTOR
FRAP FRAP1 FRAP2 RAFT1 RAPT1 |
mechanistic target of rapamycin (serine/threonine kinase) (EC:2.7.11.1) | everolimus inhibits the reaction [MTOR results in decreased susceptibility to trabectedin] |
decreases reaction
/ decreases response to substance |
21622721
|
|
| C099150 | 2475 |
MTOR
FRAP FRAP1 FRAP2 RAFT1 RAPT1 |
mechanistic target of rapamycin (serine/threonine kinase) (EC:2.7.11.1) | MTOR results in decreased susceptibility to trabectedin |
decreases response to substance
|
21622721
|
|
| C099150 | 81931 |
ZNF93
HPF34 HTF34 TF34 ZNF505 |
zinc finger protein 93 | ZNF93 protein results in decreased susceptibility to trabectedin |
decreases response to substance
|
protein |
19742314
|
Related Disease
Diseases related to proteins in ChEMBL interactions
OMIM (4)
| OMIM | preferred title | UniProt |
|---|---|---|
| #210900 | Bloom syndrome; blm |
P54132
|
| #143100 | Huntington disease; hd |
P42858
|
| #607948 | Mycobacterium tuberculosis, susceptibility to |
P11473
|
| #277440 | Vitamin d-dependent rickets, type 2a; vddr2a |
P11473
|
KEGG DISEASE (6)
| KEGG | disease name | UniProt |
|---|---|---|
| H00342 | Tuberculosis |
P11473
(related)
|
| H00784 | Localized autosomal recessive hypotrichosis |
P11473
(related)
|
| H01143 | Vitamin D-dependent rickets |
P11473
(related)
|
| H00059 | Huntington's disease (HD) |
P42858
(related)
|
| H00094 | DNA repair defects |
P54132
(related)
|
| H00296 | Defects in RecQ helicases |
P54132
(related)
|
Diseases related to CTD interactions
4 disease from interactions of metabolites
| MeSH disease | OMIM | compound | disease name | evidence type |
reference
pmid |
|---|---|---|---|---|---|
| D056486 | C099150 | Drug-Induced Liver Injury |
marker/mechanism
|
19238326
|
|
| D009503 | C099150 | Neutropenia |
marker/mechanism
|
20406837
|
|
| D010051 | C099150 | Ovarian Neoplasms |
therapeutic
|
21622721
|
|
| D012509 | C099150 | Sarcoma |
therapeutic
|
19238326
|