Vinorelbine - Small Molecule (ID:10281-118)
| HMS LINCS ID: |
10281-118
|
| Name: | Vinorelbine |
| Alternative Names: | Navelbine |
| LINCS ID: | LSM-6302 |
| PubChem CID: | 5311497 |
| ChEBI ID: | |
| ChEMBL ID: | |
| Molecular Mass: | 778.39 |
| InChi: | InChI=1S/C45H54N4O8/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3/t28-,37-,38+,39+,42+,43+,44-,45-/m0/s1 |
| InChi Key: | GBABOYUKABKIAF-IELIFDKJSA-N |
| SMILES: | CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC |
| Relevant Citations: | |
| Comments: | |
| Date Publicly Available: | |
| Most Recent Update: | 2016-08-08 |
Target Affinity:
(see Study 20000)| Target Affinity Spectrum Value | HUGO Gene Name |
|---|---|
TUBB | |
3 (equivalent to 1µM ≤ Kd < 10 µM) | TUBA1A, TUBA1B, TUBA1C, TUBA3D, TUBA3E, TUBA4A, TUBB1, TUBB2A, TUBB2B, TUBB3, TUBB4A, TUBB4B, TUBB6, TUBB8 |
Batch Information for HMSL10281-118-2:
| HMS LINCS Batch ID: | 10281-118-2 |
| Provider: | Sigma-Aldrich |
| Provider Batch ID: | |
| Salt: | 118 |
| Molecular Formula: | C45H54N4O8.2C4H6O6.xH2O |
| Molecular Weight: | |
| Purity: | |
| Purification Method: | |
| Chemical Synthesis Reference: | |
| Comments: | |
| Date Publicly Available: | 2013-03-04 |
| Most Recent Update: | 2016-12-02 |
(equivalent to 100 nM ≤ Kd < 1µM)