Celecoxib - Small Molecule (ID:10503-101)
| HMS LINCS ID: |
10503-101
|
| Name: | Celecoxib |
| Alternative Names: | Celebrex; Celebra; Celecox; Onsenal; Solexa; SC-58635; YM-177 |
| LINCS ID: | |
| PubChem CID: | 2662 |
| ChEBI ID: | |
| ChEMBL ID: | |
| Molecular Mass: | 381.08 |
| InChi: | InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) |
| InChi Key: | RZEKVGVHFLEQIL-UHFFFAOYSA-N |
| SMILES: | CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F |
| Relevant Citations: | |
| Comments: | |
| Date Publicly Available: | |
| Most Recent Update: | 2016-05-06 |
Target Affinity:
(see Study 20000)| Target Affinity Spectrum Value | HUGO Gene Name |
|---|---|
CA12, CA13, CA2, CA5B, CA6, CA9, Car15, COX2, COX2, MT-CO2, Ptgs2, PTGS2, PTGS2, PTGS2 | |
2 (equivalent to 100 nM ≤ Kd < 1µM) | CA14, CA4, CA4, CA5A, MAPK14, NCE103, NCE103, PTGS2 |
3 (equivalent to 1µM ≤ Kd < 10 µM) | CA7, COX1, EPHX2, Ptgs1, PTGS1, Ptgs2 |
10 (confirmed non-binding) |
Batch Information for HMSL10503-101-1:
| HMS LINCS Batch ID: | 10503-101-1 |
| Provider: | LC Laboratories |
| Provider Batch ID: | |
| Salt: | 101 |
| Molecular Formula: | C17H14F3N3O2S |
| Molecular Weight: | 381.37 |
| Purity: | |
| Purification Method: | |
| Chemical Synthesis Reference: | |
| Comments: | |
| Date Publicly Available: | 2016-05-06 |
| Most Recent Update: | 2016-12-02 |
(Kd <100 nM)