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
1
(Kd <100 nM)
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)
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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