Ellagic acid - Small Molecule (ID:10410-101)
| HMS LINCS ID: |
10410-101
|
| Name: | Ellagic acid |
| Alternative Names: | Gallogen; Lagistase |
| LINCS ID: | |
| PubChem CID: | 5281855 |
| ChEBI ID: | |
| ChEMBL ID: | |
| Molecular Mass: | 302.01 |
| InChi: | InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H |
| InChi Key: | AFSDNFLWKVMVRB-UHFFFAOYSA-N |
| SMILES: | C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)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 |
|---|---|
CSNK2A1, TDP1 | |
2 (equivalent to 100 nM ≤ Kd < 1µM) | Akr1b1, AKR1B1, SRC, TPT1 |
3 (equivalent to 1µM ≤ Kd < 10 µM) | BACE1, CA12, CA13, CA14, CA4, CA5A, CA6, CA7, DUSP3, Fgr, GSK3B, Lyn, PRKACA, PRKACB, PRKACG, Sqle, Syk |
10 (confirmed non-binding) |
Datasets:
| HMS Dataset ID | Dataset Title | HMS Dataset Type |
|---|---|---|
| 20000 | Target Affinity Spectrum (TAS) vectors for compounds in the HMS LINCS small molecule library. | Analysis |
Batch Information:
| HMS LINCS Batch ID | Provider | Provider Batch ID |
|---|---|---|
| 10410-101-1 | MedChem Express | 13283 |
(Kd <100 nM)