Doxorubicin - Small Molecule (ID:10248-102)
| HMS LINCS ID: |
10248-102
|
| Name: | Doxorubicin |
| Alternative Names: | Adriamycin |
| LINCS ID: | LSM-4062 |
| PubChem CID: | 31703 |
| ChEBI ID: | |
| ChEMBL ID: | |
| Molecular Mass: | 543.17 |
| InChi: | InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1 |
| InChi Key: | AOJJSUZBOXZQNB-TZSSRYMLSA-N |
| SMILES: | C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)O |
| Relevant Citations: | |
| Comments: | |
| Date Publicly Available: | |
| Most Recent Update: | 2016-04-04 |
Target Affinity:
(see Study 20000)| Target Affinity Spectrum Value | HUGO Gene Name |
|---|---|
AURKA | |
2 (equivalent to 100 nM ≤ Kd < 1µM) | TOP2A, TOP2B |
3 (equivalent to 1µM ≤ Kd < 10 µM) | MMP2 |
10 (confirmed non-binding) |
Batch Information for HMSL10248-102-2:
| HMS LINCS Batch ID: | 10248-102-2 |
| Provider: | Sigma-Aldrich |
| Provider Batch ID: | 039K1310 |
| Salt: | 102 |
| Molecular Formula: | C27H29NO11.HCl |
| Molecular Weight: | 579.98 |
| Purity: | |
| Purification Method: | |
| Chemical Synthesis Reference: | |
| Comments: | |
| Date Publicly Available: | 2013-03-04 |
| Most Recent Update: | 2016-08-11 |
(Kd <100 nM)