ABT-737 - Small Molecule (ID:10179-101)
| HMS LINCS ID: |
10179-101
|
| Name: | ABT-737 |
| Alternative Names: | |
| LINCS ID: | LSM-1180 |
| PubChem CID: | 11228183 |
| ChEBI ID: | |
| ChEMBL ID: | |
| Molecular Mass: | 812.26 |
| InChi: | InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1 |
| InChi Key: | HPLNQCPCUACXLM-PGUFJCEWSA-N |
| SMILES: | CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[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 |
|---|---|
BAD, BCL2, BCL2L1, BCL2L10, BCL2L2, CSN2 | |
3 (equivalent to 1µM ≤ Kd < 10 µM) | BCL2A1, Mcl1, MCL1 |
Batch Information for HMSL10179-101-1:
| HMS LINCS Batch ID: | 10179-101-1 |
| Provider: | Haoyuan chemexpress |
| Provider Batch ID: | HM-130-20110616 |
| Salt: | 101 |
| Molecular Formula: | C42H45ClN6O5S2 |
| Molecular Weight: | 813.43 |
| Purity: | |
| Purification Method: | |
| Chemical Synthesis Reference: | |
| Comments: | |
| Date Publicly Available: | 2011-07-15 |
| Most Recent Update: | 2016-04-04 |
HMS QC Testing Events for HMSL10179-101-1:
| Date | HMS QC Outcome | Comment | Files |
|---|---|---|---|
| 04/13/2015 | PASS | HMSL10179-101-1_LCMS.pdf | |
| 11/14/2011 | PASS | None |
(Kd <100 nM)