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
2
(equivalent to 100 nM ≤ Kd < 1µM)
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)
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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