Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0N4OZ
|
|||
| Former ID |
DNC003044
|
|||
| Drug Name |
Epothilone D
|
|||
| Synonyms |
Epothilone D; Desoxyepothilone b; (-)-Desoxyepothilone B; 189453-10-9; KOS-862; 12,13-Desoxyepothilone B; KOS 862; UNII-T0358E0YUF; (-)-Epothilone D; NSC-703147; T0358E0YUF; CHEBI:29579; 12,13-Deoxyepothilone B; NSC 703147; Epo D; EPD; (4S,7R,8S,9S,16S,Z)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-((E)-1-(2-methylthiazol-4-yl)prop-1-en-2-yl)oxacyclohexadec-13-ene-2,6-dione; (4S,7R,8S,9S,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-1-oxacyclohexadec-13-ene-2,6-dione; dEpoB
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Breast cancer [ICD-11: 2C60-2C65] | Discontinued in Phase 2 | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C27H41NO5S
|
|||
| Canonical SMILES |
CC1CCCC(=CCC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC2=CSC(=N2)C)C)C
|
|||
| InChI |
1S/C27H41NO5S/c1-16-9-8-10-17(2)25(31)19(4)26(32)27(6,7)23(29)14-24(30)33-22(12-11-16)18(3)13-21-15-34-20(5)28-21/h11,13,15,17,19,22-23,25,29,31H,8-10,12,14H2,1-7H3/b16-11-,18-13+/t17-,19+,22-,23-,25-/m0/s1
|
|||
| InChIKey |
XOZIUKBZLSUILX-GIQCAXHBSA-N
|
|||
| CAS Number |
CAS 189453-10-9
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID |
14194, 527930, 535887, 829612, 7887334, 10300127, 12015122, 14835263, 14859543, 42305233, 57404838, 71825098, 74380482, 78256894, 103306072, 104638620, 126623096, 126681411, 137253077, 142409108, 152258664, 160647501, 172087013, 179316795, 186014466, 198969321, 223393856, 223662786, 223718736, 223882697, 226396415, 247008306, 252215362, 252307186, 252434232
|
|||
| ChEBI ID |
CHEBI:29579
|
|||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Tubulin beta (TUBB) | Target Info | Inhibitor | [2] |
| KEGG Pathway | Phagosome | |||
| Gap junction | ||||
| Pathogenic Escherichia coli infection | ||||
| NetPath Pathway | FSH Signaling Pathway | |||
| TCR Signaling Pathway | ||||
| EGFR1 Signaling Pathway | ||||
| Panther Pathway | Cytoskeletal regulation by Rho GTPase | |||
| Huntington disease | ||||
| Reactome | Regulation of PLK1 Activity at G2/M Transition | |||
| Loss of Nlp from mitotic centrosomes | ||||
| Recruitment of mitotic centrosome proteins and complexes | ||||
| Loss of proteins required for interphase microtubule organization?from the centrosome | ||||
| Anchoring of the basal body to the plasma membrane | ||||
| WikiPathways | Parkin-Ubiquitin Proteasomal System pathway | |||
| Pathogenic Escherichia coli infection | ||||
| Mitotic G2-G2/M phases | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800015773) | |||
| REF 2 | How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.