Taxol - Small Molecule (ID:10102-101)
| HMS LINCS ID: |
10102-101
|
| Name: | Taxol |
| Alternative Names: | Paclitaxel |
| LINCS ID: | LSM-1102 |
| PubChem CID: | 441276 |
| ChEBI ID: | |
| ChEMBL ID: | 428647 |
| Molecular Mass: | 853.33 |
| InChi: | InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38?,40-,45+,46-,47+/m0/s1 |
| InChi Key: | RCINICONZNJXQF-VAZQATRQSA-N |
| SMILES: | CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C |
| Relevant Citations: | |
| Comments: | |
| Date Publicly Available: | |
| Most Recent Update: | 2016-04-04 |
Target Affinity:
(see Study 20000)| Target Affinity Spectrum Value | HUGO Gene Name |
|---|---|
TUBB | |
3 (equivalent to 1µM ≤ Kd < 10 µM) | ABCB1, TUBA1A, TUBA1B, TUBA1C, TUBA3D, TUBA3E, TUBA4A, TUBB1, TUBB2A, TUBB2B, TUBB3, TUBB4A, TUBB4B, TUBB6, TUBB8 |
10 (confirmed non-binding) |
Batch Information for HMSL10102-101-4:
| HMS LINCS Batch ID: | 10102-101-4 |
| Provider: | MedChem Express |
| Provider Batch ID: | 14145 |
| Salt: | 101 |
| Molecular Formula: | C47H51NO14 |
| Molecular Weight: | 853.91 |
| Purity: | |
| Purification Method: | |
| Chemical Synthesis Reference: | |
| Comments: | |
| Date Publicly Available: | 2015-06-17 |
| Most Recent Update: | 2016-04-04 |
HMS QC Testing Events for HMSL10102-101-4:
| Date | HMS QC Outcome | Comment | Files |
|---|---|---|---|
| 08/31/2015 | PASS | HMSL10102-101-4_LCMS.pdf |
(equivalent to 100 nM ≤ Kd < 1µM)