Celastrol - Small Molecule (ID:10117-101)
| HMS LINCS ID: |
10117-101
|
| Name: | Celastrol |
| Alternative Names: | |
| LINCS ID: | LSM-1117 |
| PubChem CID: | 5315765 |
| ChEBI ID: | |
| ChEMBL ID: | |
| Molecular Mass: | 450.28 |
| InChi: | InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29?/m1/s1 |
| InChi Key: | KQJSQWZMSAGSHN-NPIVXRNBSA-N |
| SMILES: | CC1=C(C(=O)C=C2C1=CC=C3[C@]2(CCC4([C@@]3(CC[C@@]5([C@H]4C[C@](CC5)(C)C(=O)O)C)C)C)C)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 |
|---|---|
ATF2, CDK2, CDK4, CDK6, HSP90AA1, HSP90AB1, PSMB5, TERT, TOP2A, TOP2B | |
3 (equivalent to 1µM ≤ Kd < 10 µM) | PTPN11 |
10 (confirmed non-binding) |
Batch Information for HMSL10117-101-1:
| HMS LINCS Batch ID: | 10117-101-1 |
| Provider: | Haoyuan chemexpress |
| Provider Batch ID: | HY-13067-20110831 |
| Salt: | 101 |
| Molecular Formula: | C29H38O4 |
| Molecular Weight: | 450.61 |
| Purity: | |
| Purification Method: | |
| Chemical Synthesis Reference: | |
| Comments: | |
| Date Publicly Available: | 2011-07-15 |
| Most Recent Update: | 2016-04-04 |
HMS QC Testing Events for HMSL10117-101-1:
| Date | HMS QC Outcome | Comment | Files |
|---|---|---|---|
| 04/13/2015 | PASS | HMSL10117-101-1_LCMS.pdf | |
| 11/14/2011 | PASS | None |
(equivalent to 100 nM ≤ Kd < 1µM)