WH-4-023 - Small Molecule (ID:10038-101)
| HMS LINCS ID: |
10038-101
|
| Name: | WH-4-023 |
| Alternative Names: | |
| LINCS ID: | LSM-5613 |
| PubChem CID: | |
| ChEBI ID: | |
| ChEMBL ID: | |
| Molecular Mass: | 568.28 |
| InChi: | InChI=1S/C32H36N6O4/c1-22-7-6-8-23(2)30(22)42-32(39)38(27-14-13-26(40-4)21-28(27)41-5)29-15-16-33-31(35-29)34-24-9-11-25(12-10-24)37-19-17-36(3)18-20-37/h6-16,21H,17-20H2,1-5H3,(H,33,34,35) |
| InChi Key: | NBTNHSGBRGTFJS-UHFFFAOYSA-N |
| SMILES: | O=C(OC1=C(C)C=CC=C1C)N(C2=CC=C(OC)C=C2OC)C3=NC(NC4=CC=C(N5CCN(C)CC5)C=C4)=NC=C3 |
| Relevant Citations: | |
| Comments: | |
| Date Publicly Available: | |
| Most Recent Update: | 2016-04-04 |
Target Affinity:
(see Study 20000)| Target Affinity Spectrum Value | HUGO Gene Name |
|---|---|
LCK, SRC | |
2 (equivalent to 100 nM ≤ Kd < 1µM) | ABL1, ABL2, ACVR1, BLK, BMPR1A, BMPR1B, CDKL3, CSF1R, DDR2, DMPK, EPHA1, EPHA2, EPHA4, EPHA6, EPHB1, EPHB2, EPHB3, EPHB4, ERBB3, FPGT-TNNI3K, FRK, FYN, KDR, LIMK1, LIMK2, LYN, PDGFRB, PTK6, RIPK2, SLK, STK10, TESK1, TNK1, TNK2, TNNI3K, YES1 |
3 (equivalent to 1µM ≤ Kd < 10 µM) | MAPK14 |
10 (confirmed non-binding) |
Batch Information for HMSL10038-101-1:
| HMS LINCS Batch ID: | 10038-101-1 |
| Provider: | Nathanael Gray (DFCI) |
| Provider Batch ID: | WH-4-023-1 |
| Salt: | 101 |
| Molecular Formula: | C32H36N6O4 |
| Molecular Weight: | 568.67 |
| Purity: | |
| Purification Method: | |
| Chemical Synthesis Reference: | |
| Comments: | |
| Date Publicly Available: | 2011-07-15 |
| Most Recent Update: | 2016-04-04 |
HMS QC Testing Events for HMSL10038-101-1:
| Date | HMS QC Outcome | Comment | Files |
|---|---|---|---|
| 03/13/2015 | PASS | HMSL10038-101-1_LCMS.pdf | |
| 06/06/2011 | PASS | None |
(Kd <100 nM)